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2011-2012 Research Articles Citing ChemBridge

Below is a partial list of articles citing the use of ChemBridge libraries and compounds. The list is updated as additional articles are identified. The PMID value can be used to link to the record at the PubMed website.

  • A diversity-oriented synthesis approach to macrocycles via oxidative ring expansion. Nature Chemical Biology 2012. PMID 2240651
  • Design, Synthesis and Biological Evaluation of Trypanosoma brucei Trypanothione Synthetase Inhibitors. ChemMedChem 2012. PMID 3320663
  • In Situ Hybridization Assay-Based Small-Molecule Screening in Zebrafish. Current Protocols in Chemical Biology 2012. PMID 3447532
  • High-Throughput Screening in Agrochemical Research. Combinatorial Chemistry and High Throughput Screening 2012. PMID 16305356
  • Identification of a Novel Class of Anti-Inflammatory Compounds With Anti-Tumor Activity in Colorectal and Lung Cancers. Other 2012. PMID 21931968
  • Combining 2D and 3D in Silico Methods for Rapid Selection of Potential PDE5 Inhibitors From Multimillion Compounds' Repositories: Biological Evaluation. Molecular Diversity 2012. PMID 21947759
  • In Silico Design of Small Molecules. Other 2012. PMID 21964780
  • Small-molecule Inhibitors of Ricin and Shiga Toxins. Other 2012. PMID 22006183
  • Block Copolymer Micelles for Controlled Delivery of Glycolytic Enzyme Inhibitors. Pharmaceutical Research 2012. PMID 22033882
  • Identification of Allosteric-Activating Drug Leads for Human Liver Pyruvate Kinase. Other 2012. PMID 22052501
  • Working With Small Molecules: Rules-Of-Thumb of "Drug Likeness". Other 2012. PMID 22065233
  • Cheminformatics-Driven Discovery of Selective, Nanomolar Inhibitors for Staphylococcal Pyruvate Kinase. ACS Chemical Biology 2012. PMID 22066782
  • Inhibition of Hematopoietic Protein Tyrosine Phosphatase Augments and Prolongs ERK1/2 and p38 Activation. ACS Chemical Biology 2012. PMID 22070201
  • Molecular mechanism of serotonin transporter inhibition elucidated by a new flexible docking protocol.. European Journal of Medicinal Chemistry 2012. PMID 22071255
  • An Immunoassay To Evaluate Human/Environmental Exposure to the Antimicrobial Triclocarban. Environmental Science and Technology 2012. PMID 22077920
  • Primary and Secondary Drug Screening Assays for Friedreich Ataxia. Journal of Biomolecular Screening 2012. PMID 22086726
  • Discovery of a Novel and Potent Class of F. tularensis Enoyl-Reductase (FabI) Inhibitors by Molecular Shape and Electrostatic Matching. Journal of Medicinal Chemistry 2012. PMID 22098466
  • Discovery of novel selective inhibitors of Staphylococcus aureus β-ketoacyl acyl carrier protein synthase III. European Journal of Medicinal Chemistry 2012. PMID 22104972
  • A Novel Pharmacophore Model to Identify Leads for Simultaneous Inhibition of Anti-coagulation and Anti-inflammatory Activities of Snake Venom Phospholipase A2. Chemical Biology and Drug Design 2012. PMID 22136624
  • A High-Throughput Screening Method for Small-Molecule Inhibitors of the Aberrant Mutant SOD1 and Dynein Complex Interaction. Journal of Biomolecular Screening 2012. PMID 22140121
  • Development of a High-Throughput Screening Method for LIM Kinase 1 Using a Luciferase-Based Assay of ATP Consumption. Journal of Biomolecular Screening 2012. PMID 22156225
  • Small molecule structure correctors abolish detrimental effects of apolipoprotein E4 in cultured neurons. Journal of Biological Chemistry 2012. PMID 22158868
  • Ligand and Decoy Sets for Docking to G Protein-Coupled Receptors. Journal of Chemical Information and Modeling 2012. PMID 22168315
  • Discovery of Novel Histamine H4 and Serotonin Transporter Ligands Using the Topological Feature Tree Descriptor. Journal of Chemical Information and Modeling 2012. PMID 22168379
  • Synthesis of potent dishevelled PDZ domain inhibitors guided by virtual screening and NMR studies. Chemical Biology and Drug Design 2012. PMID 22172211
  • Visual Characterization and Diversity Quantification of Chemical Libraries: 2. Analysis and Selection of Size-Independent, Subspace-Specific Diversity Indices. Journal of Chemical Information and Modeling 2012. PMID 22181665
  • AMMOS Software: Method and Application. Other 2012. PMID 22183534
  • Novel antivirals inhibit early steps in HPV infection.. Antiviral Research 2012. PMID 22197636
  • Crystallographic Fragment Screening. Other 2012. PMID 22222452
  • Targeting sphingosine kinase-1 to inhibit melanoma. Pigment Cell & Melanoma Research 2012. PMID 22236408
  • A Synthetic Recursive +1 Pathway for Carbon Chain Elongation. ACS Chemical Biology 2012. PMID 22242720
  • Human T cell expansion and experimental autoimmune encephalomyelitis inhibited by Lenaldekar, a small molecule discovered in a zebrafish screen. Journal of Neuroimmunology 2012. PMID 22245285
  • Identification of a Small-Molecule Inhibitor of Dengue Virus Using a Replicon System. Other 2012. PMID 22249364
  • Identification of Novel Adenosine A2A Receptor Antagonists by Virtual Screening. Journal of Medicinal Chemistry 2012. PMID 22250781
  • SQ109 targets MmpL3, a membrane transporter of trehalose monomycolate involved in mycolic acid donation to the cell wall core of Mycobacterium tuberculosis.. Antimicrobial Agents and Chemotherapy 2012. PMID 22252828
  • A Bioinformatics Search for Selective Histamine H4 Receptor Antagonists Through Structure-Based Virtual Screening Strategies. Chemical Biology and Drug Design 2012. PMID 22260722
  • Discovery of 2-(2-benzoxazoyl amino)-4-aryl-5-cyanopyrimidine as negative allosteric modulators (NAMs) of metabotropic glutamate receptor 5 (mGluâ‚…): from an artificial neural network virtual screen to an in vivo tool compound. ChemMedChem 2012. PMID 22267125
  • Structure-based Virtual Screening for Drug Discovery: A Problem-Centric Review. Other 2012. PMID 22281989
  • Identification of Biologically Active PDE11-Selective Inhibitors Using a Yeast-Based High-Throughput Screen. Chemistry and Biology 2012. PMID 22284362
  • Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase. Journal of Medicinal Chemistry 2012. PMID 22296601
  • Brassinosteroid regulates stomatal development by GSK3-mediated inhibition of a MAPK pathway. Nature 2012. PMID 22307275
  • Screening for chemicals that affect hair cell death and survival in the zebrafish lateral line. Hearing Research 2012. PMID 22310494
  • Reducing agents affect inhibitory activities of compounds: Results from Multiple Drug Targets. Analytical Biochemistry 2012. PMID 22310499
  • Emerging drug targets for pain treatment. European Journal of Pharmacology 2012. PMID 22314220
  • N-terminal Dbl Domain of the RhoGEF, Kalirin. Other 2012. PMID 22314704
  • Identification of an acetylation-dependant Ku70/FLIP complex that regulates FLIP expression and HDAC inhibitor-induced apoptosis. Cell Death and Differentiation 2012. PMID 22322857
  • 7-Substituted-pyrrolo[3,2-d]pyrimidine-2,4-dione derivatives as antagonists of the transient receptor potential ankyrin 1 (TRPA1) channel: A promising approach for treating pain and inflammation. Bioorganic and Medicinal Chemistry Journal 2012. PMID 22325155
  • Synthesis and biological evaluation of sulfonyl acrylonitriles as novel inhibitors to peritoneal carcinomatosis. Bioorganic and Medicinal Chemistry Letters 2012. PMID 22326395
  • High-throughput screening for glutathione conjugates using stable-isotope labeling and negative electrospray ionization precursor-ion mass spectrometry. Rapid Communications in Mass Spectrometry 2012. PMID 22328220
  • Very-low-density Lipoprotein Mediates Transcriptional Regulation of Aldosterone Synthase in Human Adrenocortical Cells Through Multiple Signaling Pathways. Other 2012. PMID 22331364
  • A small molecule Inauhzin inhibits SIRT1 activity and suppresses tumour growth through activation of p53. EMBO Reports 2012. PMID 22331558
  • Computer-Aided Drug Design of Falcipain Inhibitors: Virtual Screening, Structure-Activity Relationships, Hydration Site Thermodynamics, and Reactivity Analysis. Journal of Chemical Information and Modeling 2012. PMID 22332946
  • Synthesis and Evaluation of Indole-Based Chalcones as Inducers of Methuosis, a Novel Type of Nonapoptotic Cell Death. Journal of Medicinal Chemistry 2012. PMID 22335538
  • Selective TRIF-dependent signaling by a synthetic toll-like receptor 4 agonist. Science Signaling 2012. PMID 22337809
  • Identification of a novel protein synthesis inhibitor active against gram-positive bacteria. ChemBioChem 2012. PMID 22362659
  • Synthesis, Biological Evaluation, and Structure-Activity Relationships of 2-[2-(Benzoylamino)benzoylamino]benzoic Acid Analogues as Inhibitors of Adenovirus Replication. Journal of Medicinal Chemistry 2012. PMID 22369233
  • Inhibition of homologous recombination in human cells by targeting RAD51 recombinase. Journal of Medicinal Chemistry 2012. PMID 22380680
  • Modified High-Density Lipoprotein Modulates Aldosterone Release Through Scavenger Receptors via Extra Cellular Signal-Regulated Kinase and Janus Kinase-Dependent Pathways. Other 2012. PMID 22382638
  • Evaluating Modulators of “Regulator of G-protein Signaling” (RGS) Proteins. Current Protocols in Pharmacology 2012. PMID 22382998
  • The plant defensin RsAFP2 induces cell wall stress, septin mislocalization and accumulation of ceramides in Candida albicans. Molecular Microbiology 2012. PMID 22384976
  • A Novel Library Screen Identifies Immunosuppressors that Promote Osteoblast Differentiation. Bone 2012. PMID 22421346
  • LYP inhibits T-cell activation when dissociated from CSK. Nature Chemical Biology 2012. PMID 22426112
  • Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant p53. Journal of the American Chemical Society 2012. PMID 22439615
  • Small-molecule inhibitors of bacterial AddAB and RecBCD helicase-nuclease DNA repair enzymes.. ACS Chemical Biology 2012. PMID 22443934
  • Development of a Dimethylarginine Dimethylaminohydrolase (DDAH) Assay for High-Throughput Chemical Screening. Journal of Biomolecular Screening 2012. PMID 22460174
  • Identification of Small Molecule Inhibitors of the HIV-1 Nucleocapsid-Stem-Loop 3 RNA Complex. Journal of Medicinal Chemistry 2012. PMID 22480197
  • New Benchmark for Chemical Nomenclature Software. Journal of Chemical Information and Modeling 2012. PMID 22482697
  • Discovery of small molecule HIV-1 integrase dimerization inhibitors. Bioorganic and Medicinal Chemistry Letters 2012. PMID 22483582
  • A Competitive Nucleotide Binding Inhibitor: In Vitro Characterization of Rab7 GTPase Inhibition. ACS Chemical Biology 2012. PMID 22486388
  • Optimization of Adenosine 5-Carboxamide Derivatives as Adenosine Receptor Agonists Using Structure-Based Ligand Design and Fragment Screening. Journal of Medicinal Chemistry 2012. PMID 22486652
  • Development of Ecom50 and Retention Index Models for Nontargeted Metabolomics: Identification of 1,3-Dicyclohexylurea in Human Serum by HPLC/Mass Spectrometry. Journal of Chemical Information and Modeling 2012. PMID 22489687
  • The Beta2-adrenoceptor agonist formoterol stimulates mitochondrial biogenesis. Journal of Pharmacology and Experimental Therapeutics 2012. PMID 22490378
  • Mosquitocidal Properties of Natural Product Compounds Isolated From Chinese Herbs and Synthetic Analogs of Curcumin. Journal of Medical Entomology 2012. PMID 22493854
  • Cap-Dependent Translation Initiation Factor eIF4E: An Emerging Anticancer Drug Target. Medicinal Research Reviews 2012. PMID 22495651
  • Dibenzophenanthridines as inhibitors of glutaminase C and cancer cell proliferation. Molecular Cancer Therapeutics 2012. PMID 22496480
  • Novel 2-amino-isoflavones exhibit aryl hydrocarbon receptor agonist or antagonist activity in a species/cell-specific context. Toxicology 2012. PMID 22507882
  • The cap-translation inhibitor 4EGI-1 induces apoptosis in multiple myeloma through Noxa induction. British Journal of Cancer 2012. PMID 22510748
  • Derivatives of 8-hydroxyquinoline—antibacterial agents that target intra- and extracellular Gram-negative pathogens. Bioorganic and Medicinal Chemistry Letters 2012. PMID 22525317
  • Identification of a Novel Family of BRAFV600E Inhibitors. Journal of Medicinal Chemistry 2012. PMID 22537109
  • Non-specific chemical inhibition of the Fanconi anemia pathway sensitizes cancer cells to cisplatin.. Molecular Cancer 2012. PMID 22537224
  • Novel Inhibitor Discovery through Virtual Screening against Multiple Protein Conformations Generated via Ligand-Directed Modeling: A Maternal Embryonic Leucine Zipper Kinase Example. Journal of Chemical Information and Modeling 2012. PMID 22540736
  • Validation of the AmpC Beta-Lactamase Binding Site and Identification of Inhibitors with Novel Scaffolds. Journal of Chemical Information and Modeling 2012. PMID 22559726
  • Cdc42 Activity Regulates Hematopoietic Stem Cell Aging and Rejuvenation. Cell 2012. PMID 22560076
  • A Prospective Cross-Screening Study on G-Protein-Coupled Receptors: Lessons Learned in Virtual Compound Library Design. Journal of Medicinal Chemistry 2012. PMID 22563707
  • Discovery of the First Irreversible Small Molecule Inhibitors of the Interaction between the Vitamin D Receptor and Coactivators. Journal of Medicinal Chemistry 2012. PMID 22563729
  • TRPA1 channels in the vasculature. British Journal of Pharmacology 2012. PMID 22563804
  • Acriflavine enhances radiosensitivity of colon cancer cells through endoplasmic reticulum stress-mediated apoptosis. The International Journal of Biochemistry and Cell Biology 2012. PMID 22564437
  • RI-1: a chemical inhibitor of RAD51 that disrupts homologous recombination in human cells.. Nucleic Acids Research 2012. PMID 22573178
  • Characterization of two novel small molecules targeting melanocyte development in zebrafish embryogenesis. Pigment Cell & Melanoma Research 2012. PMID 22574862
  • Small-molecule Dissection of Brassinosteroid Signaling. Other 2012. PMID 22576088
  • A Chemical Genetics Method to Uncover Small Molecules for Dissecting the Mechanism of ABA Responses in Arabidopsis Seed Germination. Other 2012. PMID 22576089
  • ZINC: A Free Tool to Discover Chemistry for Biology. Journal of Chemical Information and Modeling 2012. PMID 22587354
  • A competitive inhibitor that reduces recruitment of androgen receptor to androgen-responsive genes. Journal of Biological Chemistry 2012. PMID 22589544
  • Iterative Experimental and Virtual High-Throughput Screening Identifies Metabotropic Glutamate Receptor Subtype 4 Positive Allosteric Modulators. Other 2012. PMID 22592386
  • Identification of chalcones as potent and selective PDE5A1 inhibitors. Bioorganic and Medicinal Chemistry Letters 2012. PMID 22607677
  • Identification of novel drug-resistant EGFR mutant inhibitors by in silico screening using comprehensive assessments of protein structures. Bioorganic and Medicinal Chemistry Journal 2012. PMID 22607878
  • Targeting the lateral interactions of transmembrane domain 5 of Epstein-Barr virus latent membrane protein 1. Biochimica et Biophysica Acta 2012. PMID 22609737
  • Ferroptosis: An Iron-Dependent Form of Nonapoptotic Cell Death. Cell 2012. PMID 22632970
  • Polyphenolic compounds are novel protective agents against lipid membrane damage by α-synuclein aggregates in vitro. Biochimica et Biophysica Acta 2012. PMID 22634381
  • Direct and selective small-molecule activation of proapoptotic BAX. Nature Chemical Biology 2012. PMID 22634637
  • Structural and Enzymatic Analyses Reveal the Binding Mode of a Novel Series of Francisella tularensis Enoyl Reductase (FabI) Inhibitors. Journal of Medicinal Chemistry 2012. PMID 22642319
  • Identification of Rift Valley Fever Virus Nucleocapsid protein-RNA Binding Inhibitors Using a High-Throughput Screening Assay. Journal of Biomolecular Screening 2012. PMID 22644268
  • Three-dimensional pharmacophore design and biochemical screening identifies substituted 1,2,4-triazoles as inhibitors of the annexin A2-S100A10 protein interaction. ChemMedChem 2012. PMID 22644793
  • Discovery, Structure-Activity Relationship, and Biological Evaluation of Noninhibitory Small Molecule Chaperones of Glucocerebrosidase. Journal of Medicinal Chemistry 2012. PMID 22646221
  • The androgenic anabolic steroid tetrahydrogestrinone produces dioxin-like effects via the aryl hydrocarbon receptor. Toxicology in Vitro 2012. PMID 22664790
  • An effective strategy for increasing the radio sensitivity of Human lung Cancer cells by blocking Nrf2-dependent antioxidant responses. Free Radical Biology and Medicine 2012. PMID 22684019
  • Pharmacophore-based virtual screening and density functional theory approach to identifying novel butyrylcholinesterase inhibitors. Acta Pharmacologica Sinica 2012. PMID 22684028
  • HIF-2alpha Suppresses p53 to Enhance the Stemness and Regenerative Potential of Human Embryonic Stem Cells. Stem Cells 2012. PMID 22689594
  • Read-through compound 13 restores dystrophin expression and improves muscle function in the mdx mouse model for Duchenne muscular dystrophy. Human Molecular Genetics 2012. PMID 22692682
  • Identification of Non-Macrocyclic Small Molecule Inhibitors against the NS3/4A Serine Protease of Hepatitis C Virus through in Silico Screening. Journal of Chemical Information and Modeling 2012. PMID 22697413
  • A Forward Chemical Screen Identifies Antibiotic Adjuvants in Escherichia coli. ACS Chemical Biology 2012. PMID 22698393
  • A Rhodanine Derivative CCR-11 Inhibits Bacterial Proliferation by Inhibiting the Assembly and GTPase Activity of FtsZ. Biochemistry 2012. PMID 22703373
  • Development of an Anti-Influenza Drug Screening Assay Targeting Nucleoproteins with Tryptophan Fluorescence Quenching. Analytical Chemistry 2012. PMID 22712523
  • Rational Design of Small Molecule Inhibitors Targeting RhoA Subfamily Rho GTPases. Chemistry and Biology 2012. PMID 22726684
  • Design and synthesis of new (E)-cinnamic N-acylhydrazones as potent antitrypanosomal agents. European Journal of Medicinal Chemistry 2012. PMID 22727447
  • Discovery of novel benzylidene-1,3-thiazolidine-2,4-diones as potent and selective inhibitors of the PIM-1, PIM-2, and PIM-3 protein kinases. Bioorganic and Medicinal Chemistry Letters 2012. PMID 22727640
  • Virtual Screening Identifies Novel Sulfonamide Inhibitors of ecto-5?-Nucleotidase. Journal of Medicinal Chemistry 2012. PMID 22731815
  • In Silico Discovery of a Compound with Nanomolar Affinity to Antithrombin Causing Partial Activation and Increased Heparin Affinity. Journal of Medicinal Chemistry 2012. PMID 22742452
  • Trehalose-6-phosphate synthase from the cat flea Ctenocephalides felis and Drosophila melanogaster: gene identification, cloning, heterologous functional expression and identification of inhibitors by high throughput screening. Insect Molecular Biology 2012. PMID 22762304
  • Overexpression of Ribosomal RNA in Cumulus Cells of Patients With Polycystic Ovary Syndrome. Other 2012. PMID 22772454
  • Structural and Spectroscopic Features of Mixed Valent Fe(II)Fe(I) Complexes and Factors Related to the Rotated Configuration of Diiron Hydrogenase. Journal of the American Chemical Society 2012. PMID 22774845
  • Chemical and biochemical approaches in the study of histone methylation and demethylation. Medicinal Research Reviews 2012. PMID 22777714
  • Small Molecule Screening for Inhibitors of the YopH Phosphatase of Yersinia Pseudotuberculosis. Other 2012. PMID 22782782
  • A Powerful Yeast-Based Screening Assay for the Identification of Inhibitors of Indoleamine 2,3-dioxygenase. Journal of Biomolecular Screening 2012. PMID 22791376
  • Classification of Aurora kinase inhibitors by self-organizing map (SOM) and support vector machine (SVM). European Journal of Medicinal Chemistry 2012. PMID 22796044
  • Function of the d-Alanine:d-Alanine Ligase Lid Loop: A Molecular Modeling and Bioactivity Study. Journal of Medicinal Chemistry 2012. PMID 22803830
  • Type I and II positive allosteric modulators differentially modulate agonist-induced up-regulation of alpha7 nicotinic acetylcholine receptors. Journal of Neurochemistry 2012. PMID 22804734
  • High-Throughput Screening for Small-Molecule Inhibitors of Plasmodium falciparum Glucose-6-Phosphate Dehydrogenase 6-Phosphogluconolactonase. Journal of Biomolecular Screening 2012. PMID 22813531
  • Small molecule tools for functional interrogation of protein tyrosine phosphatases. FEBS Letters 2012. PMID 22816879
  • A Gatekeeper Residue for NEDD8-Activating Enzyme Inhibition by MLN4924. Cell Reports 2012. PMID 22832224
  • HNF4a Antagonists Discovered by a High-Throughput Screen for Modulators of the Human Insulin Promoter. Chemistry and Biology 2012. PMID 22840769
  • Identification of a novel serum and glucocorticoid regulated kinase-1 (SGK1) ligand from virtual screening. Bioorganic and Medicinal Chemistry Letters 2012. PMID 22858098
  • Small Molecule Screening Identifies Regulators of the Transcription Factor Delta FosB. ACS Chemical Neuroscience 2012. PMID 22860224
  • Small Molecule-Mediated TGF-b Type II Receptor Degradation Promotes Cardiomyogenesis in Embryonic Stem Cells. Cell 2012. PMID 22862949
  • Selective Inhibitors of Aldo-Keto Reductases AKR1C1 and AKR1C3 Discovered by Virtual Screening of a Fragment Library. Journal of Medicinal Chemistry 2012. PMID 22881866
  • A small molecule screen in yeast identifies inhibitors targeting protein-protein interactions within the vaccinia virus replication complex. Antiviral Research 2012. PMID 22884885
  • Targeting Host Syntaxin-5 Preferentially Blocks Leishmania Parasitophorous Vacuole Development in Infected Cells and Limits Experimental Leishmania Infections. American Journal of Pathology 2012. PMID 22885104
  • A role for the root cap in root branching revealed by the non-auxin probe naxillin. Nature Chemical Biology 2012. PMID 22885787
  • A Screen for Modulators of Large T Antigen's ATPase Activity Uncovers Novel Inhibitors of Simian Virus 40 and BK Virus Replication. Antiviral Research 2012. PMID 22898086
  • Identification of potent small-molecule inhibitors of STAT3 with anti-inflammatory properties in RAW 264.7 macrophages. FEBS Letters 2012. PMID 22909341
  • Labeling Primitive Myeloid Progenitor Cells in Xenopus. Other 2012. PMID 22914938
  • Discovery of structurally-diverse inhibitor scaffolds by highthroughput screening of a fragment library with dimethylarginine dimethylaminohydrolase. Bioorganic and Medicinal Chemistry Journal 2012. PMID 22921743
  • Characterization of the sterol carrier protein-x/sterol carrier protein-2 gene in the cotton bollworm, Helicoverpa armigera. Journal of Insect Physiology 2012. PMID 22922458
  • Progress in the Development and Application of Small Molecule Inhibitors of Bromodomain-Acetyl-lysine Interactions. Journal of Medicinal Chemistry 2012. PMID 22924434
  • Controlling Surface Ligand Density and Core Size of Alkanethiolate-Capped Pd Nanoparticles and Their Effects on Catalysis. Langmuir 2012. PMID 22924990
  • Discovery of Potent, Novel Nrf2 Inducers Via Quantum Modeling, Virtual Screening, and In Vitro Experimental Validation. Chemical Biology and Drug Design 2012. PMID 22925725
  • The multiobjective based design, synthesis and evaluation of the arylsulfonamide/ amide derivatives of aryloxyethyl- and arylthioethyl- piperidines and pyrrolidines as a novel class of potent 5-HT7 receptor antagonists. European Journal of Medicinal Chemistry 2012. PMID 22926225
  • Comprehensive analysis of methods used for the evaluation of compounds against Mycobacterium tuberculosis. Tuberculosis 2012. PMID 22940006
  • Synthesis and evaluation of novel heteroaromatic substrates of GABA aminotransferase. Bioorganic and Medicinal Chemistry Journal 2012. PMID 22944334
  • Parallel Chemistry in the 21st Century. Current Protocols in Pharmacology 2012. PMID 22948852
  • Chemical structure of Retro-2, a compound that protects cells against ribosome-inactivating proteins. Scientific Reports 2012. PMID 22953052
  • Small Molecule Inhibitors of Bacillus anthracis Protective Antigen Proteolytic Activation and Oligomerization. Journal of Medicinal Chemistry 2012. PMID 22954387
  • Inhibition of polyphosphate as a novel strategy for preventing thrombosis and inflammation. Blood 2012. PMID 22968458
  • Quantification of the Plasma Clearance Kinetics of a Gadolinium-Based Contrast Agent by Photoinduced Triplet Harvesting. Analytical Chemistry 2012. PMID 22971115
  • Identification of Small Molecules That Disrupt SSB-protein Interactions Using a High-Throughput Screen. Other 2012. PMID 22976187
  • A Small Molecule Inhibitor of Pot1 Binding to Telomeric DNA. Biochemistry 2012. PMID 22978652
  • High-throughput screening with a miniaturized radioligand competition assay identifies new modulators of human a2-adrenoceptors. European Journal of Pharmaceutical Sciences 2012. PMID 22982401
  • Discovery of Novel Tubulin Inhibitors via Structure-Based Hierarchical Virtual Screening. Journal of Chemical Information and Modeling 2012. PMID 22992059
  • Chemical Diversity of Metabolites from Fungi, Cyanobacteria, and Plants Relative to FDA-Approved Anticancer Agents. ACS Medicinal Chemistry Letters 2012. PMID 22993669
  • The Transient Receptor Potential Channel TRPA1: From Gene to Pathophysiology. Other 2012. PMID 23001121
  • Synergistic induction of apoptosis and chemosensitization of human colorectal cancer cells by histone deacetylase inhibitor, scriptaid, and proteasome inhibitors: potential mechanisms of action. Other 2012. PMID 23011889
  • A HaloTag-based small molecule microarray screening methodology with increased sensitivity and multiplex capabilities.. ACS Chemical Biology 2012. PMID 23013033
  • Small-Molecule Structure Correctors Target Abnormal Protein Structure and Function: Structure Corrector Rescue of Apolipoprotein E4-Associated Neuropathology. Journal of Medicinal Chemistry 2012. PMID 23013167
  • Pfizer Global Virtual Library (PGVL): A Chemistry Design Tool Powered by Experimentally Validated Parallel Synthesis Information. ACS Combinatorial Science 2012. PMID 23020747
  • Identification and Characterization of Novel Human Glucose-6-Phosphate Dehydrogenase Inhibitors. Journal of Biomolecular Screening 2012. PMID 23023104
  • Anti-Pseudomonas aeruginosa compound, 1,2,3,4-tetrahydro-1,3,5-triazine derivative, exerts its action by primarily targeting MreB.. Biological and Pharmaceutical Bulletin 2012. PMID 23037163
  • Consensus Induced Fit Docking (cIFD): Methodology, Validation, and Application to the Discovery of Novel Crm1 Inhibitors. Other 2012. PMID 23053738
  • X-Aptamers: A Bead-Based Selection Method for Random Incorporation of Druglike Moieties onto Next-Generation Aptamers for Enhanced Binding. Biochemistry 2012. PMID 23057694
  • Following experimental stroke, the recovering brain is vulnerable to lipoxygenase-dependent semaphorin signaling. The FASEB Journal 2012. PMID 23070608
  • GSA: A GPU-accelerated Structure Similarity Algorithm and Its Application in Progressive Virtual Screening. Molecular Diversity 2012. PMID 23081812
  • Virtual Screening Yields Inhibitors of Novel Antifungal Drug Target, Benzoate 4-Monooxygenase. Journal of Chemical Information and Modeling 2012. PMID 23092521
  • CaV1.3-selective L-type calcium channel antagonists as potential new therapeutics for Parkinson's disease. Nature Communications 2012. PMID 23093183
  • Challenges for Academic Drug Discovery. Angewandte Chemie International Edition 2012. PMID 23097176
  • Inhibition of monoamine oxidase by derivatives of piperine, an alkaloid from the pepper plant Piper nigrum, for possible use in Parkinson’s disease. Bioorganic and Medicinal Chemistry Letters 2012. PMID 23102654
  • Diverse Small Molecule Inhibitors of Human Apurinic/ Apyrimidinic Endonuclease APE1 Identified from a Screen of a Large Public Collection. PLoS ONE 2012. PMID 23110144
  • An Approach to Quantify Endomembrane Dynamics in Pollen Utilizing Bioactive Chemicals. Molecular Plant 2012. PMID 23118478
  • Synthesis and evaluation of 3,4-dihydropyrimidin-2(1H)-ones as sodium iodide symporter inhibitors. ChemMedChem 2012. PMID 23132843
  • Virtual Fragment Screening: Discovery of Histamine H3 Receptor Ligands Using Ligand-Based and Protein-Based Molecular Fingerprints. Journal of Chemical Information and Modeling 2012. PMID 23140085
  • Mechanistic and structural basis for inhibition of thymidylate synthase ThyX. Open Biology 2012. PMID 23155486
  • A phenotypic screening platform to identify small molecule modulators of Chlamydomonas reinhardtii growth, motility and photosynthesis.. Genome Biology 2012. PMID 23158586
  • On Scaffold Hopping: Challenges in the Discovery of Sulfated Small Molecules as Mimetics of Glycosaminoglycans. Bioorganic and Medicinal Chemistry Letters 2012. PMID 23164711
  • Identification of LasR Ligands through a Virtual Screening Approach. ChemMedChem 2012. PMID 23203920
  • Glutamate decarboxylase of the parasitic arthropods Ctenocephalides felis and Rhipicephalus microplus: Gene identification, cloning, expression, assay development, identification of inhibitors by high throughput screening and comparison with the orthologs from Drosophila melanogaster and mouse. Insect Biochemistry and Molecular Biology 2012. PMID 23220582
  • Pharmacologic inhibition of MALT1 protease by phenothiazines as a therapeutic approach for the treatment of aggressive ABC-DLBCL. Cancer Cell 2012. PMID 23238017
  • A Synthetic, Species-Specific Activator of Secondary Metabolism and Sporulation in Streptomyces coelicolor. ChemBioChem 2012. PMID 23239420
  • Adapting human pluripotent stem cells to high-throughput and high-content screening. Nature Protocols 2012. PMID 23257981
  • Specific Small Molecule Inhibitors of Skp2-Mediated p27 Degradation. Chemistry and Biology 2012. PMID 23261596
  • Natural Variation in Small Molecule–Induced TIR-NB-LRR Signaling Induces Root Growth Arrest via EDS1- and PAD4-Complexed R Protein VICTR in ArabidopsisC. The Plant Cell 2012. PMID 23275581
  • Small-molecule activation of the TRAIL receptor DR5 in human cancer cells. Nature Chemical Biology 2012. PMID 23292651
  • Mining Collections of Compounds With Screening Assistant 2. Journal of Cheminformatics 2012. PMID 23327565
  • Small molecule screening in zebrafish: swimming in potential drug therapies. WIREs Developmental Biology 2012. PMID 23801494
  • Inhibitors of the NAD+-Dependent Protein Desuccinylase and Demalonylase Sirt5. ACS Medicinal Chemistry Letters 2012. PMID 24900427
  • Crystal structures of three representatives of a new Pfam family PF14869 (DUF4488) suggest they function in sugar binding/uptake. Protein Science 2012. PMID 25044324
  • Selecting, Acquiring, and Using Small Molecule Libraries for High-Throughput Screening. Current Protocols in Chemical Biology 2012. PMID 26705509
  • Molecular Docking Study Based on Pharmacophore Modeling for Novel PhosphodiesteraseIV Inhibitors. Molecular Informatics 2012. PMID 27477465
  • Shape-based similarity searching in chemical databases. WIREs Computational Molecular Science 2012. PMID N/A
  • Herausforderungen fur die akademische Wirkstoff-Forschung. Angewandte Chemie 2012. PMID N/A
  • Chirality and Combinatorial Libraries for Drug Discovery, an Overview, In Comprehensive Chirality. Book Chapter 2012. PMID N/A
  • Amphiphilic Homopolymer Vesicles as Unique Nano-Carriers for Cancer Therapy. Macromolecules 2012. PMID N/A
  • Interplay between the Chemical Space and the Biological Space. Book Chapter 2012. PMID N/A
  • Pd Nanoparticle-Catalyzed Isomerization vs Hydrogenation of Allyl Alcohol: Solvent-Dependent Regioselectivity. ACS Catalysis 2012. PMID N/A
  • Alpha7 Nicotinic Acetylcholine Receptors in the Treatment of Schizophrenia. Book Chapter 2012. PMID N/A
  • What Does an HTS File of the Future Look Like?. Book Chapter 2012. PMID N/A
  • Pharmacophore Modeling and Molecular Dynamics Simulation to Identify the Critical Chemical Features against Human Sirtuin2 Inhibitors. Journal of Molecular Structure 2012. PMID N/A
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  • Identification of novel small molecule activators of nuclear factor-κB with neuroprotective action via high-throughput screening.. Journal of Neuroscience Research 2011. PMID 21046675
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  • Discovery of Novel Inhibitors of the NorA Multidrug Transporter of Staphylococcus aureus. Journal of Medicinal Chemistry 2011. PMID 21141825
  • Automated Selection of Compounds with Physicochemical Properties To Maximize Bioavailability and Druglikeness. Journal of Chemical Information and Modeling 2011. PMID 21142079
  • A combined ligand- and structure-based virtual screening protocol identifies submicromolar PPARy partial agonists.. ChemMedChem 2011. PMID 21162086
  • Identifying Chelators for Metalloprotein Inhibitors Using a Fragment-Based Approach. Journal of Medicinal Chemistry 2011. PMID 21189019
  • Roscovitine inhibits EBNA1 serine 393 phosphorylation, nuclear localization, transcription, and episome maintenance.. Journal of Virology 2011. PMID 21209116
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  • Discovery of Halopyridines as Quiescent Affinity Labels: Inactivation of Dimethylarginine Dimethylaminohydrolase. Journal of the American Chemical Society 2011. PMID 21222447
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  • Stable expression and functional characterization of a human nicotinic acetylcholine receptor with alpha6beta2 properties: discovery of selective antagonists.. British Journal of Pharmacology 2011. PMID 21232042
  • A novel small molecule target in human airway smooth muscle for potential treatment of obstructive lung diseases: a staged high-throughput biophysical screening.. Respiratory Research 2011. PMID 21232113
  • Identification of a Chemical That Inhibits the Mycobacterial UvrABC Complex in Nucleotide Excision Repair. Biochemistry 2011. PMID 21235228
  • Aldosterone Production in Human Adrenocortical Cells Is Stimulated by High-Density Lipoprotein 2 (HDL2) Through Increased Expression of Aldosterone Synthase (CYP11B2). Endocrinology 2011. PMID 21239432
  • Identification and Optimization of Small Molecules That Restore E-Cadherin Expression and Reduce Invasion in Colorectal Carcinoma Cells. ACS Chemical Biology 2011. PMID 21241068
  • Sequential virtual screening approach to the identification of small organic molecules as potential BACE-1 inhibitors.. Chemical Biology and Drug Design 2011. PMID 21244641
  • Discovery of benzamide analogues as a novel class of 5-HT3 receptor agonists.. ChemMedChem 2011. PMID 21246737
  • Discovery, Synthesis, and Structure-Activity Relationship Development of a Series of N-(4-Acetamido)phenylpicolinamides as Positive Allosteric Modulators of Metabotropic Glutamate Receptor 4 (mGlu4) with CNS Exposure in Rats. Journal of Medicinal Chemistry 2011. PMID 21247167
  • Unusual Pungency from Extra-Virgin Olive Oil Is Attributable to Restricted Spatial Expression of the Receptor of Oleocanthal. Journal of Neuroscience 2011. PMID 21248124
  • Rational Methods for the Selection of Diverse Screening Compounds. ACS Chemical Biology 2011. PMID 21261294
  • Development and evaluation of human AP endonuclease inhibitors in melanoma and glioma cell lines. British Journal of Cancer 2011. PMID 21266972
  • Identification of a Small-Molecule Entry Inhibitor for Filoviruses. Journal of Virology 2011. PMID 21270170
  • Vitamin D intestinal absorption is not a simple passive diffusion: evidences for involvement of cholesterol transporters.. Molecular Nutrition and Food Research' 2011. PMID 21280209
  • Computer- And Structure-Based Lead Design for Epigenetic Targets. Bioorganic and Medicinal Chemistry Journal 2011. PMID 21316248
  • Virtual Screening for Lead Discovery. Other 2011. PMID 21318897
  • Synthesis and Biological Evaluation of Analogues of AKT (Protein Kinase B) Inhibitor-IV. Journal of Medicinal Chemistry 2011. PMID 21319800
  • Development of small-molecule PUMA inhibitors for mitigating radiation-induced cell death. Current Topics in Medicinal Chemistry 2011. PMID 21320058
  • A small molecule with differential effects on the PTS1 and PTS2 peroxisome matrix import pathways.. The Plant Journal 2011. PMID 21323771
  • The design, synthesis and pharmacological characterization of novel beta2-adrenoceptor antagonists.. British Journal of Pharmacology 2011. PMID 21323900
  • Potent BACE-1 inhibitor design using pharmacophore modeling, in silico screening and molecular docking studies.. BMC Bioinformatics 2011. PMID 21342558
  • Discovery of Novel Regulators of Aldehyde Dehydrogenase Isoenzymes. Chemico-Biological Interactions 2011. PMID 21349255
  • A Brain-Permeable Small Molecule Reduces Neuronal Cholesterol by Inhibiting Activity of Sirtuin 2 Deacetylase. ACS Chemical Biology 2011. PMID 21370928
  • Design, Synthesis, and Structure-Activity Relationship Exploration of 1-Substituted 4-Aroyl-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one Analogues as Inhibitors of the Annexin A2-S100A10 Protein Interaction. Journal of Medicinal Chemistry 2011. PMID 21375334
  • Discovery of 3-aryl-5-acylpiperazinyl-pyrazoles as antagonists to the NK(3) receptor. Bioorganic and Medicinal Chemistry Letters 2011. PMID 21376585
  • The Discovery of Phthalazinone-Based Human H1 and H3 Single-Ligand Antagonists Suitable for Intranasal Administration for the Treatment of Allergic Rhinitis. Journal of Medicinal Chemistry 2011. PMID 21381763
  • Chemical Name to Structure: OPSIN, an Open Source Solution. Journal of Chemical Information and Modeling 2011. PMID 21384929
  • A whole-organism screen identifies new regulators of fat storage. Nature Chemical Biology 2011. PMID 21390037
  • Dual modulation of GIP and glucagon action by the low molecular weight compound 4-hydroxybenzoic acid 2-bromobenzylidene hydrazide.. Diabetes 2011. PMID 21418501
  • Dual modulation of GIP and glucagon action by the low molecular weight compound 4-hydroxybenzoic acid 2-bromobenzylidene hydrazide. Diabetes, Obesity and Metabolism 2011. PMID 21418501
  • Identification of Specific Inhibitors of Human RAD51 Recombinase Using High-Throughput Screening. ACS Chemical Biology 2011. PMID 21428443
  • Identification of Novel Malarial Cysteine Protease Inhibitors Using Structure-Based Virtual Screening of a Focused Cysteine Protease Inhibitor Library. Journal of Chemical Information and Modeling 2011. PMID 21428453
  • Agonist activation of alpha7 nicotinic acetylcholine receptors via an allosteric transmembrane site. Proceedings of the National Academy of Sciences 2011. PMID 21436053
  • Target-Specific Support Vector Machine Scoring in Structure-Based Virtual Screening: Computational Validation, In Vitro Testing in Kinases, and Effects on Lung Cancer Cell Proliferation. Journal of Chemical Information and Modeling 2011. PMID 21438548
  • Palladium-Catalyzed C,N-Cross Coupling Reactions of 3-Halo-2-aminopyridines. Organic Letters 2011. PMID 21438591
  • Analogues and Derivatives of Oncrasin-1, a Novel Inhibitor of the C-Terminal Domain of RNA Polymerase II and Their Antitumor Activities. Journal of Medicinal Chemistry 2011. PMID 21443218
  • Pharmacological Treatment of Diabetic Neuropathic Pain. Other 2011. PMID 21443281
  • The Alabama Drug Discovery Alliance: A Collaborative Partnership to Facilitate Academic Drug Discovery. Pharmaceutical Research 2011. PMID 21448756
  • Discovery of 2-Arylbenzoxazoles as Upregulators of Utrophin Production for the Treatment of Duchenne Muscular Dystrophy. Journal of Medicinal Chemistry 2011. PMID 21456623
  • Importazole, a Small Molecule Inhibitor of the Transport Receptor Importin-?. ACS Chemical Biology 2011. PMID 21469738
  • Virtual screening identification of novel severe acute respiratory syndrome 3C-like protease inhibitors and in vitro confirmation. Bioorganic and Medicinal Chemistry Letters 2011. PMID 21470860
  • A High-Content Screen Identifies Inhibitors of Nuclear Export of Forkhead Transcription Factors. Journal of Biomolecular Screening 2011. PMID 21471460
  • Pharmacologic reversal of epigenetic silencing of the anticancer protein BRM: a novel targeted treatment strategy. Oncogene 2011. PMID 21478905
  • Atom Type Preferences, Structural Diversity, and Property Profiles of Known Drugs, Leads, and Nondrugs: A Comparative Assessment. ACS Combinatorial Science 2011. PMID 21480669
  • Characterization of a thiamin diphosphate-dependent phenylpyruvate decarboxylase from Saccharomyces cerevisiae.. The FEBS Journal 2011. PMID 21501384
  • Discovery of potential integrin VLA-4 antagonists using pharmacophore modeling, virtual screening and molecular docking studies.. Chemical Biology and Drug Design 2011. PMID 21507205
  • Sustained TRPA1 activation in vivo. Acta Physiologica 2011. PMID 21518269
  • Influence of Multidrug Efflux Systems on Methylene Blue-Mediated Photodynamic Inactivation of Candida Albicans. Other 2011. PMID 21525022
  • The chlamydial periplasmic stress response serine protease cHtrA is secreted into host cell cytosol.. BMC Microbiology 2011. PMID 21527029
  • Potent, Selective, and Orally Available Benzoisothiazolone Phosphomannose Isomerase Inhibitors as Probes for Congenital Disorder of Glycosylation Ia. Journal of Medicinal Chemistry 2011. PMID 21539312
  • The Rac1 exchange factor Dock5 is essential for bone resorption by osteoclasts.. Journal of Bone and Mineral Research 2011. PMID 21542010
  • Identification of benzothiazole derivatives and polycyclic aromatic hydrocarbons as aryl hydrocarbon receptor agonists present in tire extracts.. Environmental Toxicology and Chemistry 2011. PMID 21590714
  • Development and application of a cellular, gain-of-signal, bioluminescent reporter screen for inhibitors of type II secretion in Pseudomonas aeruginosa and Burkholderia pseudomallei. Journal of Biomolecular Screening 2011. PMID 21602485
  • Design of a Multi-Purpose Fragment Screening Library Using Molecular Complexity and Orthogonal Diversity Metrics. Other 2011. PMID 21604056
  • Chemical Genetics Reveals Negative Regulation of Abscisic Acid Signaling by a Plant Immune Response Pathway. Current Biology 2011. PMID 21620700
  • On the Mechanism of Dimethylarginine Dimethylaminohydrolase Inactivation by 4-Halopyridines. Journal of the American Chemical Society 2011. PMID 21630706
  • High-Throughput Screening of Small Molecule Libraries using SAMDI Mass Spectrometry. ACS Combinatorial Science 2011. PMID 21639106
  • A chalcone-related small molecule that induces methuosis, a novel form of non-apoptotic cell death, in glioblastoma cells.. Molecular Cancer 2011. PMID 21639944
  • Modulation of Wnt/Beta-catenin signaling and proliferation by a ferrous iron chelator with therapeutic efficacy in genetically engineered mouse models of cancer. Oncogene 2011. PMID 21666721
  • Non-bisphosphonate inhibitors of isoprenoid biosynthesis identified via computer-aided drug design.. Chemical Biology and Drug Design 2011. PMID 21696546
  • Toward the discovery of novel anti-HIV drugs. Second-generation inhibitors of the cellular ATPase DDX3 with improved anti-HIV activity: synthesis, structure-activity relationship analysis, cytotoxicity studies, and target validation.. ChemMedChem 2011. PMID 21698775
  • Discovery of selective bioactive small molecules by targeting an RNA dynamic ensemble. Nature Chemical Biology 2011. PMID 21706033
  • Identification of agents that induce apoptosis of multicellular tumour spheroids: enrichment for mitotic inhibitors with hydrophobic properties.. Chemical Biology and Drug Design 2011. PMID 21726416
  • Discovery of Novel Inhibitors for Human Intestinal Maltase: Virtual Screening in a WISDOM Environment and in Vitro Evaluation. Other 2011. PMID 21735260
  • From high-throughput cell culture screening to mouse model: identification of new inhibitor classes against prion disease.. ChemMedChem 2011. PMID 21755599
  • Acetamide scanning around bicyclic thiazoles: SAR at the H3 receptor.. ChemMedChem 2011. PMID 21761567
  • Visual Characterization and Diversity Quantification of Chemical Libraries: 1. Creation of Delimited Reference Chemical Subspaces. Journal of Chemical Information and Modeling 2011. PMID 21761916
  • A novel binding assay identifies high affinity ligands to the rosiglitazone binding site of mitoNEET. Bioorganic and Medicinal Chemistry Letters 2011. PMID 21782425
  • A High-Throughput Screening Assay for the Identification of Flavivirus NS5 Capping Enzyme GTP-binding Inhibitors: Implications for Antiviral Drug Development. Journal of Biomolecular Screening 2011. PMID 21788392
  • ABCC Multidrug Transporters in Childhood Neuroblastoma: Clinical and Biological Effects Independent of Cytotoxic Drug Efflux. Other 2011. PMID 21799180
  • Ligand polarizability contributes to tau fibril binding affinity.. Bioorganic and Medicinal Chemistry Journal 2011. PMID 21803586
  • Transient receptor potential channels as therapeutic targets. Nature Reviews Drug Discovery 2011. PMID 21804597
  • Current Status and Research Strategies in Tuberculosis Drug Development. Journal of Medicinal Chemistry 2011. PMID 21823589
  • Curaxins: anticancer compounds that simultaneously suppress NF-κB and activate p53 by targeting FACT. Science Translational Medicine 2011. PMID 21832239
  • Inhibitors of Androgen Receptor Activation Function-2 (AF2) Site Identified through Virtual Screening. Journal of Medicinal Chemistry 2011. PMID 21846139
  • Computational repositioning of the anticonvulsant topiramate for inflammatory bowel disease. Science Translational Medicine 2011. PMID 21849664
  • A Biochemical Screen for Identification of Small-Molecule Regulators of the Wnt Pathway Using Xenopus Egg Extracts. Journal of Biomolecular Screening 2011. PMID 21859680
  • A molecular screening approach to identify and characterize inhibitors of glioblastoma stem cells. Molecular Cancer Therapeutics 2011. PMID 21859839
  • Targeting Multiple Conformations Leads to Small Molecule Inhibitors of the uPAR uPA Protein-Protein Interaction That Block Cancer Cell Invasion. ACS Chemical Biology 2011. PMID 21875078
  • Targeting Multiple Conformations Leads to Small Molecule Inhibitors of the uPAR·uPA Protein–Protein Interaction That Block Cancer Cell Invasion. ACS Chemical Biology 2011. PMID 21875078
  • Discovery and evaluation of inhibitors of human ceramidase. Molecular Cancer Therapeutics 2011. PMID 21885864
  • Development of a high throughput method for the determination of pharmacological levels of plasma D-serine. Analytical Biochemistry 2011. PMID 21889486
  • Inhibition of influenza virus replication via small molecules that induce the formation of higher-order nucleoprotein oligomers. Proceedings of the National Academy of Sciences 2011. PMID 21896751
  • REPROVIS-DB: A Benchmark System for Ligand-Based Virtual Screening Derived from Reproducible Prospective Applications. Journal of Chemical Information and Modeling 2011. PMID 21902278
  • Identification of Novel Small Molecule Inhibitors of 4-diphosphocytidyl-2-C-methyl-D-erythritol (CDP-ME) kinase of Gram-negative bacteria. Bioorganic and Medicinal Chemistry Journal 2011. PMID 21903402
  • Discovery of Highly Potent, Nonsteroidal 17 Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors by Virtual High-Throughput Screening. The Journal of Steroid Biochemistry and Molecular Biology 2011. PMID 21920439
  • A Continuous, Fluorescent, High-Throughput Assay for Human Dimethylarginine dimethylaminohydrolase-1. Journal of Biomolecular Screening 2011. PMID 21921133
  • The developing zebrafish (Danio rerio): a vertebrate model for high-throughput screening of chemical libraries.. Birth Deftects Research 2011. PMID 21932435
  • Discovery of potent, novel, non-toxic anti-malarial compounds via quantum modelling, virtual screening and in vitro experimental validation.. Malaria Journal 2011. PMID 21933377
  • Activators of Cylindrical Proteases as Antimicrobials: Identification and Development of Small Molecule Activators of ClpP Protease. Chemistry and Biology 2011. PMID 21944755
  • Emerging importance of ALK in neuroblastoma. Seminars in Cancer Biology Journal 2011. PMID 21945349
  • Chemical Screening in Zebrafish for Novel Biological and Therapeutic Discovery. Methods in Cell Biology 2011. PMID 21951544
  • Designing Zebrafish Chemical Screens. Methods in Cell Biology 2011. PMID 21951546
  • Ligand-based autotaxin pharmacophore models reflect structure-based docking results. Journal of Molecular Graphics and Modelling 2011. PMID 21967734
  • A Small Nonrule of 3 Compatible Fragment Library Provides High Hit Rate of Endothiapepsin Crystal Structures with Various Fragment Chemotypes. Journal of Medicinal Chemistry 2011. PMID 21972967
  • Evaluation of a System to Screen for Stimulators of Non-Specific DNA Nicking by HIV-1 Integrase: Application to a Library of 50,000 Compounds. Other 2011. PMID 21984686
  • Identification of Inhibitors of NOD1-Induced Nuclear Factor-κB Activation. ACS Medicinal Chemistry Letters 2011. PMID 22003428
  • Clusters of bioactive compounds target dynamic endomembrane networks in vivo.. Proceedings of the National Academy of Sciences 2011. PMID 22006339
  • Crystal Structure-Based Virtual Screening for Fragment-like Ligands of the Human Histamine H1 Receptor. Journal of Medicinal Chemistry 2011. PMID 22007643
  • Novel inhibitors of Mycobacterium tuberculosis dTDP-6-deoxy-L-lyxo-4-hexulose reductase (RmlD) identified by virtual screening.. Bioorganic and Medicinal Chemistry Letters 2011. PMID 22014548
  • SREBP-1 activation by glucose mediates TGF-beta upregulation in mesangial cells. American Journal of Physiology - Renal Physiology 2011. PMID 22031849
  • Compound prioritization methods increase rates of chemical probe discovery in model organisms.. Chemistry and Biology 2011. PMID 22035796
  • Compound Prioritization Methods Increase Rates of Chemical Probe Discovery in Model Organisms. Chemistry and Biology 2011. PMID 22035796
  • Systematic Discovery of TLR Signaling Components Delineates Viral-Sensing Circuits. Cell 2011. PMID 22078882
  • An adaptive mutation in NS2 is essential for efficient production of infectious 1b/2a chimeric hepatitis C virus in cell culture. Virology 2011. PMID 22099378
  • Identification of Novel Nonsteroidal Compounds as Substrates or Inhibitors of hASBT. Journal of Pharmaceutical Sciences 2011. PMID 22109685
  • TRPA1 antagonists as potential analgesic drugs. Pharmacology and Therapeutics 2011. PMID 22119554
  • Matrix metalloproteinase3 gene promoter polymorphisms and their haplotypes are associated with gastric cancer risk in eastern Indian population. Molecular Carcinogenesis 2011. PMID 22121090
  • Heat shock transcription factor 1 as a therapeutic target in neurodegenerative diseases. Nature Reviews Drug Discovery 2011. PMID 22129991
  • Pyrabactin, an ABA agonist, induced stomatal closure and changes in signalling components of guard cells in abaxial epidermis of Pisum sativum. Journal of Experimental Botany 2011. PMID 22131162
  • Inhibiting TRPA1 ion channel reduces loss of cutaneous nerve fiber function in diabetic animals: Sustained activation of the TRPA1 channel contributes to the pathogenesis of peripheral diabetic neuropathy. Pharmacological Research 2011. PMID 22133672
  • A steroid isolated from the water mold Achlya heterosexualis induces neurogenesis in vitro and in vivo. Steroids 2011. PMID 22138207
  • Corrector-mediated rescue of misprocessed CFTR mutants can be reduced by the P-glycoprotein drug pump. Biochemical Pharmacology 2011. PMID 22138447
  • Thiadiazolidinones: A new class of alanine racemase inhibitors with antimicrobial activity against methicillin-resistant Staphylococcus aureus. Biochemical Pharmacology 2011. PMID 22146584
  • Different 8-Hydroxyquinolines Protect Models of TDP-43 Protein, -Synuclein, and Polyglutamine Proteotoxicity through Distinct Mechanisms. Journal of Biological Chemistry 2011. PMID 22147697
  • Neuronal growth cone retraction relies on proneurotrophin receptor signaling through Rac. Science Signaling 2011. PMID 22155786
  • Virtual screening for compounds that mimic protein–protein interface epitopes. Journal of Computational Chemistry 2011. PMID 22162049
  • Paclitaxel therapy potentiates cold hyperalgesia in streptozotocin-induced diabetic rats through enhanced mitochondrial reactive oxygen species production and TRPA1 sensitization. Pain 2011. PMID 22177224
  • Inhibition of cell migration by PITENINs: the role of ARF6. Oncogene 2011. PMID 22179837
  • Novel antivirals inhibit early steps in HPV infection. Antiviral Research 2011. PMID 22197636
  • Small-molecule proteostasis regulators for protein conformational diseases. Nature Chemical Biology 2011. PMID 22198733
  • Nuclear export of proteins and drug resistance in cancer. Biochemical Pharmacology 2011. PMID 22209898
  • A scaffold hopping approach to identify novel monoamine oxidase B inhibitors. Bioorganic and Medicinal Chemistry Letters 2011. PMID 22225638
  • Development, evaluation and application of 3D QSAR Pharmacophore model in the discovery of potential human renin inhibitors.. BMC Bioinformatics 2011. PMID 22372967
  • Structure-based and ligand-based virtual screening of novel methyltransferase inhibitors of the dengue virus.. BMC Bioinformatics 2011. PMID 22373153
  • Small molecule modulators of eukaryotic initiation factor 2 alpha kinases, the key regulators of protein synthesis. Biochimie 2011. PMID 23939221
  • Discovery of Novel α4β2 Neuronal Nicotinic Receptor Modulators through Structure-Based Virtual Screening. ACS Medicinal Chemistry Letters 2011. PMID 24936233
  • Identification of Nonpeptide Oxytocin Receptor Ligands by Receptor-Ligand Fingerprint Similarity Search.. Molecular Informatics 2011. PMID 27467153
  • Molecular Screening for Therapeutic Agents.. Book Chapter 2011. PMID N/A
  • Identification of a Chemical Inhibitor of RAD51 that Disrupatients Homologous Recombinational DNA Repair in Human Cells. International Journal of Radiation Oncology - Biology - Physics 2011. PMID N/A
  • A High Throughput Screen for Inhibitors of RTK Post-translational Processing. International Journal of Radiation Oncology - Biology - Physics 2011. PMID N/A
  • In Silico Tools for Molecular Modeling. Book Chapter 2011. PMID N/A
  • Characterizations of UV-curable montmorillonite/epoxy nanocomposites prepared by a hybrid of chemical dispersion and planetary mechanical milling process. Journal of Applied Polymer Science 2011. PMID N/A
  • The physical properties of sulfonated graphene/poly(vinyl alcohol) composites. Carbon 2011. PMID N/A
  • New dimerization and cascade oligomerization reactions of dimethyl 2-phenylcyclopropane-1,1-dicarboxylate catalyzed by Lewis acids . Tetrahedron Letters 2011. PMID N/A
  • Virtual Screening on Homology Models. Book Chapter 2011. PMID N/A
  • Index. Book Chapter 2011. PMID N/A
  • Eight Years Using Grids for Life Sciences. Book Chapter 2011. PMID N/A
  • Understanding drug-likeness.. WIREs Computational Molecular Science 2011. PMID N/A
  • The Fine Chemical Industry.. Book Chapter 2011. PMID N/A
  • Agonist activation of the G protein-coupled receptor GPR35 involves transmembrane domain III and is transduced via Galpha13 and beta-arrestin-2. British Journal of Pharmacology 2011. PMID N/A (PMCID3041261)
  • Synthesis of pyrrolidine and tetrahydroazonine derivatives from N-[bis(ethoxycarbonyl)methyl]tetrahydropyridinium bromide and methyl acetylenedicarboxylate. Other 2011. PMID
  • Combined chemical feature-based assessment and Bayesian model studies to identify potential inhibitors for Factor Xa. Medicinal Chemistry Research 2011. PMID
  • Reactions of quinazoline and its 4-oxo- and 4-chloro-substituted derivatives with nucleophiles. Other 2011. PMID
  • e-Infrastructures for e-Science: A Global View. Other 2011. PMID
  • Combinatorial chemistry in higher school: Ten-year experience of research, educational, and managerial projects. Other 2011. PMID
  • Reductive amination with a scavenger: The most “combinatorial” of two-component reactions. Other 2011. PMID
  • Chemical Screening with Zebrafish Embryos. Other 2011. PMID
  • Small Molecule Screens. Other 2011. PMID
  • Identification of Novel Small Molecule Activators of Nuclear Factor-κB With Neuroprotective Action Via High-Throughput Screening. Journal of Neuroscience Research 2011. PMID