Learn How our
Libraries and Compounds
are Advancing Research

2017-2018 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.

• Mitochondrial Metabolism Regulates Microtubule Acetylome and Autophagy Trough Sirtuin-2: Impact for Parkinson's Disease. Molecular Neurobiology 2018. PMID 28168426
• Evaluation of Compound Optical Interference in High-Content Screening. Other 2018. PMID 28467117
• A Fluorescence-Based High-Throughput Assay for the Identification of Anticancer Reagents Targeting Fructose-1,6-Bisphosphate Aldolase. Other 2018. PMID 28820953
• Erastin-Like Anti-Warburg Agents Prevent Mitochondrial Depolarization Induced by Free Tubulin and Decrease Lactate Formation in Cancer Cells. Other 2018. PMID 29024608
• TCDD, FICZ, and Other High Affinity AhR Ligands Dose-Dependently Determine the Fate of CD4+ T Cell Differentiation. Toxicological Sciences 2018. PMID 29040756
• PRMT5 as a Druggable Target for Glioblastoma Therapy. Neuro-Oncology 2018. PMID 29106602
• 4EGI-1 Represses Cap-Dependent Translation and Regulates Genome-Wide Translation in Malignant Pleural Mesothelioma. Other 2018. PMID 29116477
• Compounds producing an effective combinatorial regimen for disruption of HIV‐1 latency. EBMO Molecular Medicine 2018. PMID 29246970
• Species-Selective Pyrimidineamine Inhibitors of Trypanosoma brucei S-Adenosylmethionine Decarboxylase. Journal of Medicinal Chemistry 2018. PMID 29271204
• Discovery of 2-Piperidinyl Phenyl Benzamides and Trisubstituted Pyrimidines as Positive Allosteric Modulators of the Prostaglandin Receptor EP2. Select Journal Title 2018. PMID 29292987
• Tetrahydrocarbazoles are a novel class of potent P-type ATPase inhibitors with antifungal activity. PLoS ONE 2018. PMID 29293507
• Evidence for Novel Action at the Cell-Binding Site of Human Angiogenin Revealed by Heteronuclear NMR Spectroscopy, in Silico and in Vivo Studies. ChemMedChem 2018. PMID 29314771
• Transient Receptor Potential Ankyrin 1 (TRPA1) Mediates Lipopolysaccharide (LPS)-Induced Inflammatory Responses in Primary Human Osteoarthritic Fibroblast-Like Synoviocytes. Other 2018. PMID 29318481
• Structural ensemble-based docking simulation and biophysical studies discovered new inhibitors of Hsp90 N-terminal domain. Scientific Reports 2018. PMID 29321504
• K313, a Novel Benzoxazole Derivative, Exhibits Anti-Inflammatory Properties via Inhibiting GSK3Beta Activity in LPS-induced RAW264.7 Macrophages. Other 2018. PMID 29345351
• Screen Targeting Lung and Prostate Cancer Oncogene Identifies Novel Inhibitors of RGS17 and Problematic Chemical Substructures. Other 2018. PMID 29351497
• Discovery of novel bacterial topoisomerase I inhibitors by use of in silico docking and in vitro assays. Scientific Reports 2018. PMID 29362471
• In Silico Identification, Synthesis and Biological Evaluation of Novel Tetrazole Inhibitors of MurB. Chemical Biology and Drug Design 2018. PMID 29363274
• S-Nitrosoglutathione Works Downstream of Nitric Oxide to Mediate Iron-Deficiency Signaling in Arabidopsis. The Plant Journal 2018. PMID 29396986
• Flow Photo-Nazarov Reactions of 2-Furyl Vinyl Ketones: Cyclizing a Class of Traditionally Unreactive Heteroaromatic Enones. Select Journal Title 2018. PMID 29400058
• Discovery of Plasmodium (M)TRAP-Aldolase Interaction Stabilizers Interfering With Sporozoite Motility and Invasion. ACS Infectious Diseases 2018. PMID 29411968
• Discovery and Cellular Stress Pathway Analysis of 1,4-naphthoquinone Derivatives With Novel, Highly Potent Broad-Spectrum Anticancer Activity. Select Journal Title 2018. PMID 29422060
• Fragment-Based Screening of a Natural Product Library Against 62 Potential Malaria Drug Targets Employing Native Mass Spectrometry. ACS Infectious Diseases 2018. PMID 29436819
• Targeting p53-dependent stem cell loss for intestinal chemoprotection. Science Translational Medicine 2018. PMID 29437148
• A multitarget approach to drug discovery inhibiting Mycobacterium tuberculosis PyrG and PanK. Scientific Reports 2018. PMID 29453370
• Computational Methods Involved in Evaluating the Toxicity of the Reproductive Toxicants in Sertoli Cell. Other 2018. PMID 29453577
• Identification of ortho-Substituted Benzoic Acid/Ester Derivatives via the Gas-Phase Neighboring Group Participation Effect in (+)-ESI High Resolution Mass Spectrometry. Select Journal Title 2018. PMID 29488104
• CC-401 Promotes Beta-Cell Replication via Pleiotropic Consequences of DYRK1A/B Inhibition. Endocrinology 2018. PMID 29514186
• Modular Synthesis of 3,6-Disubstituted-1,2,4-triazines via the Cyclodehydration of Beta-Keto- N-acylsulfonamides With Hydrazine Salts. Other 2018. PMID 29514458
• Exploration for novel inhibitors showing back-to-front approach against VEGFR-2 kinase domain (4AG8) employing molecular docking mechanism and molecular dynamics simulations. BMC Cancer 2018. PMID 29514608
• A DHODH inhibitor increases p53 synthesis and enhances tumor cell killing by p53 degradation blockage. Nature Communications 2018. PMID 29549331
• Analysis of the neurotoxic effects of neuropathic organophosphorus compounds in adult zebrafish. Scientific Reports 2018. PMID 29555973
• Leukadherin-1 Ameliorates Endothelial Barrier Damage Mediated by Neutrophils From Critically Ill Patients. Other 2018. PMID 29568527
• Identification of a Golgi Apparatus Protein Complex Important for the Asexual Erythrocytic Cycle of the Malaria Parasite Plasmodium Falciparum. Cellular Microbiology 2018. PMID 29579782
• Computer-Aided Discovery and Characterization of Novel Ebola Virus Inhibitors. Journal of Medicinal Chemistry 2018. PMID 29624387
• Structural Plasticity of the TDRD3 Tudor Domain Probed by a Fragment Screening Hit. Other 2018. PMID 29645362
• A novel autophagy enhancer as a therapeutic agent against metabolic syndrome and diabetes. Nature Communications 2018. PMID 29650965
• Development of GMP-1 a Molecular Chaperone Network Modulator Protecting Mitochondrial Function and Its Assessment in Fly and Mice Models of Alzheimer's Disease. Other 2018. PMID 29704317
• Phenotypic Screening for Inhibitors of a Mutant Thrombopoietin Receptor. Other 2018. PMID 29736709
• The thioredoxin-1 system is essential for fueling DNA synthesis during T-cell metabolic reprogramming and proliferation. Nature Communications 2018. PMID 29749372
• AntiMalarial Mode of Action (AMMA) Database: Data Selection, Verification and Chemical Space Analysis. Molecular Informatics 2018. PMID 29749713
• Characterization of Novel Piperidine-Based Inhibitor of Cathepsin B-Dependent Bacterial Toxins and Viruses. ACS Infectious Diseases 2018. PMID 29749721
• Comparative inhibitory profile and distribution of bacterial PARPs, using Clostridioides difficile CD160 PARP as a model. Scientific Reports 2018. PMID 29795234
• Advances and Insights for Small Molecule Inhibition of Macrophage Migration Inhibitory Factor. Journal of Medicinal Chemistry 2018. PMID 29812929
• Multi-Parametric Screening in Arabidopsis Thaliana Seedlings. Other 2018. PMID 29846914
• Phenotype-Based Screening of Small Molecules to Modify Plant Cell Walls Using BY-2 Cells. Other 2018. PMID 29846920
• High-Throughput In Vitro Screening for Inhibitors of Cereal Alpha-Glucosidase. Other 2018. PMID 29846922
• Modes of Action Study of Seed Germination Inhibitor Germostatin by Forward Genetics Screening. Other 2018. PMID 29846925
• Targeting repair pathways with small molecules increases precise genome editing in pluripotent stem cells. Nature Communications 2018. PMID 29867139
• Targeting repair pathways with small molecules increases precise genome editing in pluripotent stem cells. Nature Communications 2018. PMID 29867139
• High-Throughput Screens To Identify Autophagy Inducers That Function by Disrupting Beclin 1/Bcl-2 Binding. ACS Chemical Biology 2018. PMID 29878747
• Medicinal Chemistry and Use of Myosin II Inhibitor (S)-Blebbistatin and Its Derivatives. Journal of Medicinal Chemistry 2018. PMID 29878759
• ERK 1/2 Activation Mediates the Neuroprotective Effect of BpV(pic) in Focal Cerebral Ischemia-Reperfusion Injury. Other 2018. PMID 29882124
• Malt1 Blocks IL-1Beta Production by Macrophages in Vitro and Limits Dextran Sodium Sulfate-Induced Intestinal Inflammation in Vivo. Other 2018. PMID 29901822
• Identification of Compounds That Decrease Glioblastoma Growth and Glucose Uptake in Vitro. Select Journal Title 2018. PMID 29905460
• High content, high-throughput screening for small molecule inducers of NF-KappaB translocation. PLoS ONE 2018. PMID 29953522
• Selective Small Molecule Recognition of RNA Base Pairs. ACS Combinatorial Science 2018. PMID 29966095
• Targeting STING with covalent small-molecule inhibitors. Nature 2018. PMID 29973723
• Noncanonical translation via deadenylated 3' UTRs maintains primordial germ cells. Nature Chemical Biology 2018. PMID 29988067
• Development of a High-Throughput Biochemical Assay to Screen for Inhibitors of Aerobactin Synthetase IucA. Other 2018. PMID 29991301
• First Nonphosphorylated Inhibitors of Phosphoglucose Isomerase Identified by Chemical Library Screening. Other 2018. PMID 29995453
• Synthesis of Structurally Diverse N-Substituted Quaternary-Carbon-Containing Small Molecules From Alpha,Alpha-Disubstituted Propargyl Amino Esters. Chemistry - A European Journal 2018. PMID 30011115
• In Silico Screening of Compound Libraries Using a Consensus of Orthogonal Methodologies. Other 2018. PMID 30039412
• Lead Identification Through the Synergistic Action of Biomolecular NMR and In Silico Methodologies. Other 2018. PMID 30039415
• Application of Virtual Screening Approaches for the Identification of Small Molecule Inhibitors of the Methyllysine Reader Protein Spindlin1. Other 2018. PMID 30039418
• High Throughput Screen Identifies Interferon Gamma-Dependent Inhibitors of Toxoplasma Gondii Growth. ACS Infectious Diseases 2018. PMID 30058798
• A novel triple combination of pharmacological chaperones improves F508del-CFTR correction. Scientific Reports 2018. PMID 30061653
• A new quinoline-based chemical probe inhibits the autophagy-related cysteine protease ATG4B. Scientific Reports 2018. PMID 30076329
• Virtual Screening and Experimental Testing of B1 Metallo-Beta-lactamase Inhibitors. Journal of Chemical Information and Modeling 2018. PMID 30107123
• Muller Glial Dysfunction During Diabetic Retinopathy in Rats Is Reduced by the Acrolein-Scavenging Drug, 2-hydrazino-4,6-dimethylpyrimidine. Other 2018. PMID 30112688
• Decrease in plasma membrane tension triggers PtdIns(4,5)P2 phase separation to inactivate TORC2. Nature Cell Biology 2018. PMID 30154550
• Novel Imidazole and Methoxybenzylamine Growth Inhibitors Affecting Salmonella Cell Envelope Integrity and its Persistence in Chickens. Scientific Reports 2018. PMID 30190570
• Preparation of Structurally Diverse Compounds From the Natural Product Lycorine. Organic Letters 2018. PMID 30204451
• SIRT2-mediated Inactivation of p73 Is Required for Glioblastoma Tumorigenicity. EMBO Reports 2018. PMID 30213795
• Virtual Screening of Chemical Compounds for Discovery of Complement C3 Ligands. ACS Omega 2018. PMID 30221234
• Inhibiting Pneumococcal Surface Antigen A (PsaA) With Small Molecules Discovered Through Virtual Screening: Steps Toward Validating a Potential Target for Streptococcus Pneumoniae. Chemistry and Biodiversity 2018. PMID 30221472
• 14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface. Nature Communications 2018. PMID 30224724
• The Rational Discovery of a Tau Aggregation Inhibitor. Biochemistry 2018. PMID 30247897
• Rational identification of a Cdc42 inhibitor presents a new regimen for long-term hematopoietic stem cell mobilization. Leukemia 2018. PMID 30254339
• Elucidating the Catalytic Power of Glutamate Racemase by Investigating a Series of Covalent Inhibitors. ChemMedChem 2018. PMID 30264520
• Correcting glucose-6-phosphate dehydrogenase deficiency with a small-molecule activator. Nature Communications 2018. PMID 30279493
• Alda-1, an Aldehyde dehydrogenase-2 Agonist, Causes Deterioration in Renal Functions Following Ischemia-Reperfusion Injury Due to Crystalline Nephropathy. Other 2018. PMID 30291750
• Inhibitors of the protein disulfide isomerase family for the treatment of multiple myeloma. Leukemia 2018. PMID 30315229
• Small molecules that target group II introns are potent antifungal agents. Nature Chemical Biology 2018. PMID 30323219
• In Silico Screening and Evaluation of Plasmodium Falciparum Protein Kinase 5 (PK5) Inhibitors. ChemMedChem 2018. PMID 30328274
• Novel small molecules affecting cell membrane as potential therapeutics for avian pathogenic Escherichia coli. Scientific Reports 2018. PMID 30333507
• Identification of Novel Pyruvate Dehydrogenase Kinase 1 (PDK1) Inhibitors by Kinase Activity-Based High-Throughput Screening for Anticancer Therapeutics. Select Journal Title 2018. PMID 30350563
• Role of a Small Molecule in the Modulation of Cell Death Signal Transduction Pathways. ACS Infectious Diseases 2018. PMID 30354048
• Acetylation of ACAP4 Regulates CCL18-elicited Breast Cancer Cell Migration and Invasion. Journal of Molecular Cell Biology 2018. PMID 30395269
• Reversal of proliferation deficits caused by chromosome 16p13.11 microduplication through targeting NFκB signaling: an integrated study of patient-derived neuronal precursor cells, cerebral organoids and in vivo brain imaging. Molecular Psychiatry 2018. PMID 30401811
• High-throughput screening for selective appetite modulators: A multibehavioral and translational drug discovery strategy. Science Advances 2018. PMID 30402545
• Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides. Journal of Medicinal Chemistry 2018. PMID 30403352
• Scaffold-Hopping from Synthetic Drugs by Holistic Molecular Representation. Scientific Reports 2018. PMID 30405170
• Inhibition of oncogenic cap-dependent translation by 4EGI-1 reduces growth, enhances chemosensitivity and alters genome-wide translation in non-small cell lung cancer. Cancer Gene Therapy 2018. PMID 30420719
• ONECUT2 is a targetable master regulator of lethal prostate cancer that suppresses the androgen axis. Nature Medicine 2018. PMID 30478421
• In silico identification and experimental validation of hits active against KPC-2 Beta-lactamase. PLoS ONE 2018. PMID 30496182
• Discovery of Novel Molecular Frameworks of Farnesoid X Receptor Modulators by Ensemble Machine Learning. Other 2018. PMID 30622876
• Scaffold hopping from natural products to synthetic mimetics by holistic molecular similarity. Nature Communications Chemistry 2018. PMID N/A
• Synthesis and spectral characteristics of 2-aryl-6-methyl-and 2-aryl-6-benzyl-4,8a-diphenylperhydro[1,3,2]dioxaborinino[5,4-c]pyridines. Other 2018. PMID
• Synthesis of 2-Amino-5-hydroxy-5-phosphonovaleric Acid. Other 2018. PMID
• Chapter 19 - High-Throughput Virtual Screening (HTVS) of Natural Compounds and Exploration of Their Biomolecular Mechanisms: An In Silico Approach. Book Chapter 2018. PMID
• High Level Activity of Recombinant Lysostaphin After Computer Simulation and Additive-Based Refolding. Other 2018. PMID
• High Content Screening of Small Molecule Modulators Targeting Heat Shock Response Pathway. Other 2018. PMID
• Computational Design of Multitarget Drugs Against Alzheimer’s Disease. Select Journal Title 2018. PMID
• Deep Semi-supervised Learning for Virtual Screening Based on Big Data Analytics. Other 2018. PMID
• Skeletal Complications of Malignancy V Speaker Abstracts (in order of presentation) S = Speaker. Other 2018. PMID
• High-Throughput Screening in the Discovery of Small-Molecule Inhibitors of Protein-Protein Interactions. Book Chapter 2018. PMID
• Phosphorus-Containing Aminocarboxylic Acids: XV. alpha,omega-Diamino-omega,omega-diphosphonoalkylcarboxylic Acids. Other 2018. PMID
• Inhibitors of the Growth‐Factor Activating Proteases Matriptase, Hepsin and HGFA : Strategies for Rational Drug Design and Optimization. Book Chapter 2018. PMID
• Technological Developments in Quorum Sensing and Its Inhibition for Medical Applications. Other 2018. PMID
• Integration of virtual screening and computational simulation identifies photodynamic therapeutics against human Protoporphyrinogen Oxidase IX (hPPO). Other 2018. PMID
• Virtual Screening for Dual Hsp90/B-Raf Inhibitors. Other 2018. PMID
• Identification of Novel Human HDAC8 Inhibitors by Pharmacophore‐based Virtual Screening and Density Functional Theory Approaches. Bulletin of the Korean Chemical Society 2018. PMID
• Computer-Aided Drug Discovery. Book Chapter 2018. PMID
• Modeling of BACE-1 Inhibitors as Anti-Alzheimer's Agents. Book Chapter 2018. PMID
• Mitochondrial Metabolism Power SIRT2-Dependent Deficient Traffic Causing Alzheimer's-Disease Related Pathology.. Molecular Neurobiology 2017. PMID 27311773
• Molecular Docking, Molecular Dynamics Simulations, Computational Screening to Design Quorum Sensing Inhibitors Targeting LuxP of Vibrio harveyi and Its Biological Evaluation.. Applied Biochemistry and Biotechnology 2017. PMID 27535409
• Identification of Chemical Compounds That Inhibit Protein Synthesis in Pseudomonas Aeruginosa. Other 2017. PMID 27872201
• Computer-Aided Drug Design Methods. Other 2017. PMID 27873247
• (Z)-2-(3-Chlorobenzylidene)-3,4-dihydro-N-(2-methoxyethyl)-3-oxo-2H-benzo[b][1,4]oxazine-6-carboxamide as GSK-3beta inhibitor: Identification by virtual screening and its validation in enzyme- and cell-based assay. Chemical Biology and Drug Design 2017. PMID 27896926
• A Tryptoline Ring-Distortion Strategy Leads to Complex and Diverse Biologically Active Molecules from the Indole Alkaloid Yohimbine. Chemistry - A European Journal 2017. PMID 27900785
• Towards the Development of Small-Molecule MO25 Binders as Potential Indirect SPAK/OSR1 Kinase Inhibitors. ChemBioChem 2017. PMID 28004876
• Model-Based Discovery of Synthetic Agonists for the Zn2+-Sensing G-Protein-Coupled Receptor 39 (GPR39) Reveals Novel Biological Functions. Journal of Medicinal Chemistry 2017. PMID 28045522
• From Homology Models to a Set of Predictive Binding Pockets-a 5-HT1A Receptor Case Study. Journal of Chemical Information and Modeling 2017. PMID 28055203
• Identification of potential glutaminyl cyclase inhibitors from lead-like libraries by in silico and in vitro fragment-based screening.. Molecular Diversity 2017. PMID 28070724
• Discovery of N-(Pyridin-4-yl)-1,5-naphthyridin-2-amines as Potential Tau Pathology PET Tracers for Alzheimer's Disease. Journal of Medicinal Chemistry 2017. PMID 28106992
• The Kinetochore-Dependent and -Independent Formation of the CDC20-MAD2 Complex and Its Functions in HeLa Cells. Scientific Reports 2017. PMID 28112196
• A Chemical Genetic Screen Uncovers a Small Molecule Enhancer of the N-acylethanolamine Degrading Enzyme, Fatty Acid Amide Hydrolase, in Arabidopsis. Scientific Reports 2017. PMID 28112243
• Identification of small molecule modulators of HIV-1 Tat and Rev protein accumulation.. Journal of Retrovirology 2017. PMID 28122580
• Identification of small molecule modulators of HIV-1 Tat and Rev protein accumulation.. Retrovirology 2017. PMID 28122580
• A High-Content Assay Enables the Automated Screening and Identification of Small Molecules with Specific ALDH1A1-Inhibitory Activity. PLoS ONE 2017. PMID 28129349
• Identification of Triazolothiadiazoles as Potent Inhibitors of the dCTP Pyrophosphatase 1. Journal of Medicinal Chemistry 2017. PMID 28145708
• Structure-Based Virtual Screening. Other 2017. PMID 28150235
• Substrate-analogous inhibitors exert antimalarial action by targeting the Plasmodium lactate transporter PfFNT at nanomolar scale. PLoS Pathogens 2017. PMID 28178358
• In Search of Novel CDK8 Inhibitors by Virtual Screening. Journal of Chemical Information and Modeling 2017. PMID 28191946
• Inhibition of the Aldehyde Dehydrogenase 1/2 Family by Psoralen and Coumarin Derivatives. Journal of Medicinal Chemistry 2017. PMID 28219011
• Stability of Oligonucleotide-Small Molecule Conjugates to DNA-Deprotection Conditions. Bioconjugate Chemistry 2017. PMID 28233987
• Identification of Non-Nucleoside Inhibitors of the Respiratory Syncytial Virus Polymerase Complex. Journal of Medicinal Chemistry 2017. PMID 28245119
• Identification and characterization of inhibitors of UDP-glucose and UDP-sugar pyrophosphorylases for in vivo studies. The Plant Journal 2017. PMID 28273406
• Applying a high-throughput fluorescence polarization assay for the discovery of chemical probes blocking La:RNA interactions in vitro and in cells. PLoS ONE 2017. PMID 28291789
• Identification of Mangiferin as a Potential Glucokinase Activator by Structure-Based Virtual Ligand Screening. Scientific Reports 2017. PMID 28317897
• High-Throughput Dual Screening Method for Ras Activities and Inhibitors. Analytical Chemistry 2017. PMID 28318223
• Recent Advances in Developing Antiviral Therapies for Respiratory Syncytial Virus. Other 2017. PMID 28324595
• Synthesis of Norbornene Derived Helical Copolymer by Simple Molecular Marriage Approach to Produce Smart Nanocarrier. Scientific Reports 2017. PMID 28327656
• Identification of a Novel, Small Molecule Partial Agonist for the Cyclic AMP Sensor, EPAC1. Scientific Reports 2017. PMID 28331191
• Inhibition of Serum and Glucocorticoid Regulated kinase-1 as Novel Therapy for Cardiac Arrhythmia Disorders. Scientific Reports 2017. PMID 28336914
• Structure-Based Discovery of New Antagonist and Biased Agonist Chemotypes for the Kappa Opioid Receptor. Journal of Medicinal Chemistry 2017. PMID 28339199
• A Small-Molecule Microarray Approach for the Identification of E2 Enzyme Inhibitors in Ubiquitin-Like Conjugation Pathways. Other 2017. PMID 28346086
• Skp2 Deficiency Restricts the Progression and Stem Cell Features of Castration-Resistant Prostate Cancer by Destabilizing Twist. Oncogene 2017. PMID 28346424
• Fragment Database FDB-17. Journal of Chemical Information and Modeling 2017. PMID 28375006
• The novel nematicide wact-86 interacts with aldicarb to kill nematodes. PLoS Neglected Tropical Diseases 2017. PMID 28379972
• Bilateral Effects of Excipients on Protein Stability: Preferential Interaction Type of Excipient and Surface Aromatic Hydrophobicity of Protein.. Pharmaceutical Research 2017. PMID 28401430
• Liver Receptor homolog-1 (NR5a2) Regulates CD95/Fas Ligand Transcription and Associated T-cell Effector Functions. Cell Death and Disease 2017. PMID 28406481
• The BigLEN-GPR171 Peptide Receptor System Within the Basolateral Amygdala Regulates Anxiety-Like Behavior and Contextual Fear Conditioning. Other 2017. PMID 28425495
• Functional, Thermodynamics, Structural and Biological Studies of in Silico-Identified Inhibitors of Mycobacterium Tuberculosis enoyl-ACP(CoA) Reductase Enzyme. Scientific Reports 2017. PMID 28436453
• Control of the Unfolded Protein Response in Health and Disease. Other 2017. PMID 28453376
• GTP Binding Regulates Cellular Localization of Parkinson's Disease-Associated LRRK2. Human Molecular Genetics 2017. PMID 28453723
• Documenting and harnessing the biological potential of molecules in Distributed Drug Discovery (D3) virtual catalogs. Chemical Biology and Drug Design 2017. PMID 28453915
• Identification of Specific Inhibitors of Trypanosoma Cruzi Malic Enzyme Isoforms by Target-Based HTS. Other 2017. PMID 28459632
• Identification of Potent and Selective CYP1A1 Inhibitors via Combined Ligand and Structure-Based Virtual Screening and Their in Vitro Validation in Sacchrosomes and Live Human Cells. Journal of Chemical Information and Modeling 2017. PMID 28489395
• Predictive Compound Accumulation Rules Yield a Broad-Spectrum Antibiotic. Nature 2017. PMID 28489819
• High-Throughput Screening To Identify Potent and Specific Inhibitors of Microbial Sulfate Reduction. Environmental Science and Technology 2017. PMID 28492331
• Design, Synthesis, and Biological Evaluation of Peptidomimetic N-Substituted Cbz-4-Hyp-Hpa-Amides as Novel Inhibitors of Plasmodium falciparum. Chemistry and Biodiversity 2017. PMID 28498611
• A new 4-Amino-7-Nitro-2,1,3-Benzoxadiazole (ANBD)-Based Fluorescent Probe for the Detection of Hg2.. Journal of Fluorescence 2017. PMID 28501902
• Poster Presentations. Journal of Labelled Compounds and Radiopharmaceuticals 2017. PMID 28502124
• Identification of Small Molecule Translesion Synthesis Inhibitors That Target the Rev1-CT/RIR Protein-Protein Interaction. ACS Chemical Biology 2017. PMID 28541665
• Structure-Activity Relationship for Small Molecule Inhibitors of Nicotinamide N-Methyltransferase. Journal of Medicinal Chemistry 2017. PMID 28548833
• Acetyl-CoA synthetase regulates histone acetylation and hippocampal memory. Nature 2017. PMID 28562591
• Toll-like receptor 2 antagonists identified through virtual screening and experimental validation. FEBS Letters 2017. PMID 28570013
• Orexin receptor agonist Yan 7874 is a weak agonist of orexin/hypocretin receptors and shows orexin receptor-independent cytotoxicity. PLoS ONE 2017. PMID 28575023
• Pharmaceutical Approaches to Target Antibiotic Resistance Mechanisms. Journal of Medicinal Chemistry 2017. PMID 28594170
• A Covalent PIN1 Inhibitor Selectively Targets Cancer Cells by a Dual Mechanism of Action. Nature Communications 2017. PMID 28598431
• Identification of an in Vivo Orally Active Dual-Binding Protein-Protein Interaction Inhibitor Targeting TNFalpha Through Combined in Silico/in Vitro/in Vivo Screening. Scientific Reports 2017. PMID 28611375
• Fabrication of beta-cyclodextrin-mediated single bimolecular inclusion complex: characterization, molecular docking, in-vitro release and bioavailability studies for gefitinib and simvastatin conjugate.. Journal of Pharmacy and Pharmacology 2017. PMID 28631808
• Identification of potential trypanothione reductase inhibitors among commercially available β-carboline derivatives using chemical space, lead-like and drug-like filters, pharmacophore models and molecular docking.. Molecular Diversity 2017. PMID 28656524
• Discovery of a Small-Molecule Inhibitor of Interleukin 15: Pharmacophore-Based Virtual Screening and Hit Optimization. Journal of Medicinal Chemistry 2017. PMID 28657314
• Identification of Biologically Active Pyrimido[5,4-b]indoles That Prolong NF-KB Activation without Intrinsic Activity. ACS Combinatorial Science 2017. PMID 28657707
• Discovery of a Benzamide Derivative That Protects Pancreatic Beta-Cells against Endoplasmic Reticulum Stress. Journal of Medicinal Chemistry 2017. PMID 28696115
• Fusion of Structure and Ligand Based Methods for Identification of Novel CDK2 Inhibitors. Journal of Chemical Information and Modeling 2017. PMID 28723151
• Structure-Based Discovery of Small Molecule Inhibitors of Cariogenic Virulence. Scientific Reports 2017. PMID 28729722
• 4-(Nitrophenylsulfonyl)piperazines mitigate radiation damage to multiple tissues. PLoS ONE 2017. PMID 28732024
• Discovery of Novel Proline-Based Neuropeptide FF Receptor Antagonists. ACS Chemical Neuroscience 2017. PMID 28737888
• TGF-beta Signaling Is Necessary and Sufficient for Pharyngeal Arch Artery Angioblast Formation.. Cell Reports 2017. PMID 28746880
• In Silico Prediction of ROCK II Inhibitors by Different Classification Approaches. Molecular Diversity 2017. PMID 28770474
• In Silico Model of the Human ClC-Kb Chloride Channel: Pore Mapping, Biostructural Pathology and Drug Screening. Scientific Reports 2017. PMID 28775266
• A High-Content Live-Cell Viability Assay and Its Validation on a Diverse 12K Compound Screen. Other 2017. PMID 28783477
• Ventromorphins: A New Class of Small Molecule Activators of the Canonical BMP Signaling Pathway. ACS Chemical Biology 2017. PMID 28787124
• Small-molecule Studies Identify CDK8 as a Regulator of IL-10 in Myeloid Cells. Nature Chemical Biology 2017. PMID 28805801
• Selective small-chemical inhibitors of protein arginine methyltransferase 5 with anti-lung cancer activity. PLoS ONE 2017. PMID 28806746
• Docking and Virtual Screening in Drug Discovery. Other 2017. PMID 28809009
• Identification of Novel Non-secosteroidal Vitamin D Receptor Agonists With Potent Cardioprotective Effects and devoid of Hypercalcemia. Scientific Reports 2017. PMID 28814738
• Blockade of Asparagine Endopeptidase Inhibits Cancer Metastasis. Journal of Medicinal Chemistry 2017. PMID 28820254
• Discovery of a Potent Inhibitor Class with High Selectivity toward Clostridial Collagenases. Journal of the American Chemical Society 2017. PMID 28820255
• Discovery of a ROCK Inhibitor, FPND, Which Prevents Cerebral Hemorrhage Through Maintaining Vascular Integrity by Interference With VE-cadherin. Other 2017. PMID 28845297
• Data Resources for the Computer-Guided Discovery of Bioactive Natural Products. Journal of Chemical Information and Modeling 2017. PMID 28853576
• Discovery of Small Molecules Targeting the Synergy of Cardiac Transcription Factors GATA4 and NKX2-5. Journal of Medicinal Chemistry 2017. PMID 28858485
• Discovery of Inhibitors of Four Bromodomains by Fragment-Anchored Ligand Docking.. Journal of Chemical Information and Modeling 2017. PMID 28862840
• Rational design of drug-like compounds targeting Mycobacterium marinum MelF protein. PLoS ONE 2017. PMID 28873466
• Tumor vessel disintegration by maximum tolerable PFKFB3 blockade.. Angiogenesis 2017. PMID 28875379
• New Compounds Identified Through in Silico Approaches Reduce the Alpha-Synuclein Expression by Inhibiting Prolyl Oligopeptidase in Vitro. Scientific Reports 2017. PMID 28883518
• Fluorescent 2-Aminopurine c-di-GMP and GpG Analogs as PDE Probe. Book Chapter 2017. PMID 28889299
• Fluorescent 2-Aminopurine c-di-GMP and GpG Analogs as PDE Probes. Other 2017. PMID 28889299
• Identification and Characterization of the Novel Reversible and Selective Cathepsin X Inhibitors. Scientific Reports 2017. PMID 28904354
• ACCERBATIN, a Small Molecule at the Intersection of Auxin and Reactive Oxygen Species Homeostasis With Herbicidal Properties. Journal of Experimental Botany 2017. PMID 28922768
• Customizable de novo design strategies for DOCK: Application to HIVgp41 and other therapeutic targets. Journal of Computational Chemistry 2017. PMID 28940386
• Extra-mitochondrial Prosurvival BCL-2 Proteins Regulate Gene Transcription by Inhibiting the SUFU Tumour Suppressor. Nature Cell Biology 2017. PMID 28945232
• Targeting the Hemopexin-like Domain of Latent Matrix Metalloproteinase-9 (proMMP-9) with a Small Molecule Inhibitor Prevents the Formation of Focal Adhesion Junctions. ACS Chemical Biology 2017. PMID 28945333
• Identification of a Novel Class of Small Compounds With Anti-Tuberculosis Activity by in Silico Structure-Based Drug Screening. The Journal of Antibiotics 2017. PMID 28951604
• A highly-sensitive high throughput assay for dynamin's basal GTPase activity. PLoS ONE 2017. PMID 28957392
• Mimicking Intermolecular Interactions of Tight Protein–Protein Complexes for Small‐Molecule Antagonists. ChemMedChem 2017. PMID 28960868
• Small Molecule Inhibition of cGAS Reduces Interferon Expression in Primary Macrophages From Autoimmune Mice. Nature Communications 2017. PMID 28963528
• Modulators of 14-3-3 Protein-Protein Interactions. Journal of Medicinal Chemistry 2017. PMID 28968506
• Editor's Highlight: Ah Receptor Activation Potentiates Neutrophil Chemoattractant (C-X-C Motif) Ligand 5 Expression in Keratinocytes and Skin. Toxicological Sciences 2017. PMID 28973351
• A plant-based chemical genomics screen for the identification of flowering inducers.. Plant Methods 2017. PMID 29026434
• Sphingosine Kinase 1 Expression in Peritoneal Macrophages Is Required for Colon Carcinogenesis. Carcinogenesis 2017. PMID 29028945
• Improved Phenoxyalkylbenzimidazoles with Activity against Mycobacterium tuberculosis Appear to Target QcrB. ACS Infectious Diseases 2017. PMID 29035551
• Inhibition of yeast‐to‐filamentous growth transitions in Candida albicans by a small molecule inducer of mammalian apoptosis. Yeast 2017. PMID 29048745
• Characterization of CADD522, a small molecule that inhibits RUNX2-DNA binding and exhibits antitumor activity. Oncotarget 2017. PMID 29050333
• Comparative analyses of structural features and scaffold diversity for purchasable compound libraries.. Journal of Cheminformatics 2017. PMID 29086044
• Drug-tolerant Persister Cancer Cells Are Vulnerable to GPX4 Inhibition. Nature 2017. PMID 29088702
• Thiol-benzo-triazolo-quinazolinone Inhibits Alg44 Binding to c-di-GMP and Reduces Alginate Production by Pseudomonas aeruginosa. ACS Chemical Biology 2017. PMID 29091392
• Antithrombotic Properties of JJ1, a Potent and Novel Thrombin Inhibitor. Scientific Reports 2017. PMID 29093471
• ABMA, a Small Molecule That Inhibits Intracellular Toxins and Pathogens by Interfering With Late Endosomal Compartments. Scientific Reports 2017. PMID 29138439
• Predicted Biological Activity of Purchasable Chemical Space. Journal of Chemical Information and Modeling 2017. PMID 29193970
• Seven Year Itch: Pan-Assay Interference Compounds (PAINS) in 2017-Utility and Limitations. ACS Chemical Biology 2017. PMID 29202222
• Identification of Insulin-Sensitizing Molecules Acting by Disrupting the Interaction Between the Insulin Receptor and Grb14. Scientific Reports 2017. PMID 29203791
• The Magic of Crystal Structure-Based Inhibitor Optimization: Development of a Butyrylcholinesterase Inhibitor with Picomolar Affinity and in Vivo Activity. Journal of Medicinal Chemistry 2017. PMID 29227101
• A small-molecule activator of kinesin-1 drives remodeling of the microtubule network. Proceedings of the National Academy of Sciences 2017. PMID 29229862
• Increasing the Permeability of Escherichia Coli Using MAC13243. Scientific Reports 2017. PMID 29247166
• 2-Arylidene Hydrazinecarbodithioates as Potent, Selective Inhibitors of Cystathionine γ-Lyase (CSE). ACS Medicinal Chemistry Letters 2017. PMID 29259741
• Application of a Dynamic Map for Learning, Communicating, Navigating, and Improving Therapeutic Development. Clinical and Translational Science 2017. PMID 29271559
• Coordinate regulation of stress signaling and epigenetic events by Acss2 and HIF-2 in cancer cells. PLoS ONE 2017. PMID 29281714
• Pillar[5]arene–Py–Cu Gel, the First Pillar[5]arene-Based Metallo(organo)gel, and Adsorption of Sudan III by Its Gel-Precipitate. European Journal of Organic Chemistry 2017. PMID N/A
• Recent advances in the prediction of non-CYP450-mediated drug metabolism. WIREs Computational Molecular Science 2017. PMID N/A
• Screening Viral Neuraminidase Inhibitors Using a Glycosylated N1 Structure Model Derived From Molecular Dynamics Simulations. Bulletin of the Korean Chemical Society 2017. PMID N/A
• Apoptosis and Autophagy. Book Chapter 2017. PMID N/A
• Selective Oxidative Coupling of 3H-Pyrazol-3-ones, Isoxazol-5(2H)-ones, Pyrazolidine-3,5-diones, and Barbituric Acids with Malonyl Peroxides: An Effective C-O Functionalization. ChemistrySelect 2017. PMID N/A
• Palladium-Catalyzed Intramolecular Cyclization of Nitroalkenes: Synthesis of Thienopyrroles. European Journal of Organic Chemistry 2017. PMID N/A
• Cerium Chloride Catalyzed, 2-Iodoxybenzoic Acid Mediated Oxidative Dehydrogenation of Multiple Heterocycles at Room Temperature. European Journal of Organic Chemistry 2017. PMID N/A
• Pharmacophore Generation for Multiple Ligands. Book Chapter 2017. PMID NA
• Recent advances in the prediction of non‐CYP450‐mediated drug metabolism. WIREs Computational Molecular Science 2017. PMID NA
• Recent Advances in Computational Approaches for Designing Potential Anti-Alzheimer’s Agents. Book Chapter 2017. PMID
• Virtual Screening in the Search of New and Potent Anti-Alzheimer Agents. Other 2017. PMID
• Identification of potential type 4 cAMP phosphodiesterase inhibitors via 3D pharmacophore modeling, virtual screening, DFT and structural bioisostere design. Medicinal Chemistry Research 2017. PMID
• Discovery of potential neurodegenerative inhibitors in Alzheimer’s disease by casein kinase 1 structure-based virtual screening. Medicinal Chemistry Research 2017. PMID
• Web Resources for Discovery and Development of New Medicines. Other 2017. PMID
• Synthesis of P,N-protected phosphinic pseudoprolylglycine block. Other 2017. PMID
• Small Molecule Screens. Other 2017. PMID
• Possible anticancer agents: synthesis, pharmacological activity, and molecular modeling studies on some 5-N -Substituted-2-N-(substituted benzenesulphonyl)-L(+)Glutamines. Medicinal Chemistry Research 2017. PMID
• Morphogenesis in C. albicans. Other 2017. PMID
• Transient Receptor Potential Cation Channel Subfamily A Member 1 (TRPA1). Other 2017. PMID
• Candida albicans Biofilms. Other 2017. PMID