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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
• Reversible pH- and Lipid-Sensitive Vesicles from Amphiphilic Norbornene-Derived Thiobarbiturate Homopolymers. ACS Macro Letters 2012. PMID N/A
• Computational Multitarget Drug Discovery. Book Chapter 2012. PMID N/A
• Synthesis, molecular structure, NMR spectroscopic and computational analysis of a selective adenosine A2A antagonist, ZM 241385. Other 2012. PMID
• Leveraging on nanomechanical sensors to single out active small ligands for 2-microglobulin. Sensors and Actuators B Chemical 2012. PMID
• TRPA1 in Drug Discovery. Book Chapter 2012. PMID
• p53-Reactivating Molecules as Research Tools and Anticancer Drugs. Book Chapter 2012. PMID
• Novel Synthetic Small-Molecule Activators of AMPK as Enhancers of Autophagy and amyloid-Beta Peptide Degradation. The FASEB Journal 2011. PMID 20852062
• Docking Methods for Structure-Based Library Design. Other 2011. PMID 20981523
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• 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
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• 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
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• 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
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• Discovery and evaluation of inhibitors of human ceramidase. Molecular Cancer Therapeutics 2011. PMID 21885864
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• 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
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• 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
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• 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
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• 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
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• 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)
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• Small Molecule Screens. Other 2011. PMID
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