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VFV as a New Effective CYP51 Structure-Derived Drug Candidate for Chagas Disease and Visceral Leishmaniasis.
Lepesheva GI, Hargrove TY, Rachakonda G, Wawrzak Z, Pomel S, Cojean S, Nde PN, Nes WD, Locuson CW, Calcutt MW, Waterman MR, Daniels JS, Loiseau PM, Villalta F
(2015) J Infect Dis 212: 1439-48
MeSH Terms: Animals, Antiprotozoal Agents, Benzamides, Biotransformation, Chagas Disease, Cytochrome P-450 Enzyme Inhibitors, Cytochrome P-450 Enzyme System, Disease Models, Animal, Female, Humans, Imidazoles, Inhibitory Concentration 50, Leishmaniasis, Visceral, Mice, Mice, Inbred BALB C, Microsomes, Liver, Molecular Structure, Oxadiazoles, Rats, Structure-Activity Relationship, Tissue Distribution, Trypanosoma cruzi
Added July 2, 2021
0 Communities
1 Members
0 Resources
MeSH Terms
Response of head and neck squamous cell carcinoma cells carrying PIK3CA mutations to selected targeted therapies.
Wirtz ED, Hoshino D, Maldonado AT, Tyson DR, Weaver AM
(2015) JAMA Otolaryngol Head Neck Surg 141: 543-9
MeSH Terms: Benzoquinones, Carcinoma, Squamous Cell, Cell Line, Tumor, Cell Survival, Class I Phosphatidylinositol 3-Kinases, Head and Neck Neoplasms, Humans, Imidazoles, Indazoles, Inhibitory Concentration 50, Lactams, Macrocyclic, Molecular Targeted Therapy, Mutation, Phosphatidylinositol 3-Kinases, Protein Serine-Threonine Kinases, Pyridones, Pyrimidinones, Quinolines, Squamous Cell Carcinoma of Head and Neck, Sulfonamides, TOR Serine-Threonine Kinases, Tumor Cells, Cultured
Added February 15, 2016
1 Communities
1 Members
0 Resources
22 MeSH Terms
Synthesis and SAR of substituted pyrazolo[1,5-a]quinazolines as dual mGlu(2)/mGlu(3) NAMs.
Wenthur CJ, Morrison RD, Daniels JS, Conn PJ, Lindsley CW
(2014) Bioorg Med Chem Lett 24: 2693-8
MeSH Terms: Allosteric Regulation, Drug Design, Inhibitory Concentration 50, Molecular Structure, Pyrazoles, Quinazolines, Receptors, Metabotropic Glutamate, Structure-Activity Relationship
Added February 19, 2015
0 Communities
1 Members
0 Resources
8 MeSH Terms
Discovery of (R)-(2-fluoro-4-((-4-methoxyphenyl)ethynyl)phenyl) (3-hydroxypiperidin-1-yl)methanone (ML337), an mGlu3 selective and CNS penetrant negative allosteric modulator (NAM).
Wenthur CJ, Morrison R, Felts AS, Smith KA, Engers JL, Byers FW, Daniels JS, Emmitte KA, Conn PJ, Lindsley CW
(2013) J Med Chem 56: 5208-12
MeSH Terms: Allosteric Regulation, Animals, Brain, Drug Discovery, Humans, Inhibitory Concentration 50, Mice, Piperidines, Rats, Receptors, Metabotropic Glutamate, Substrate Specificity
Added February 19, 2015
0 Communities
1 Members
0 Resources
11 MeSH Terms
Clinical and genetic determinants of plasma nevirapine exposure following an intrapartum dose to prevent mother-to-child HIV transmission.
Vardhanabhuti S, Acosta EP, Ribaudo HJ, Severe P, Lalloo U, Kumarasamy N, Taulo F, Kabanda J, Oneko O, Ive P, Sambarey P, Chan ES, Hitti J, Hong F, McMahon D, Haas DW, A5207 ACTG Study Team
(2013) J Infect Dis 208: 662-71
MeSH Terms: Adult, Anti-HIV Agents, Aryl Hydrocarbon Hydroxylases, Chemoprevention, Cytochrome P-450 CYP2B6, Female, HIV Infections, Humans, Infant, Newborn, Infectious Disease Transmission, Vertical, Inhibitory Concentration 50, Male, Metabolic Clearance Rate, Nevirapine, Oxidoreductases, N-Demethylating, Plasma, Polymorphism, Genetic, Pregnancy, Time Factors, Young Adult
Added March 13, 2015
0 Communities
1 Members
0 Resources
20 MeSH Terms
Activation of heme biosynthesis by a small molecule that is toxic to fermenting Staphylococcus aureus.
Mike LA, Dutter BF, Stauff DL, Moore JL, Vitko NP, Aranmolate O, Kehl-Fie TE, Sullivan S, Reid PR, DuBois JL, Richardson AR, Caprioli RM, Sulikowski GA, Skaar EP
(2013) Proc Natl Acad Sci U S A 110: 8206-11
MeSH Terms: Animals, Anti-Bacterial Agents, Bacterial Proteins, Chromatography, High Pressure Liquid, Combinatorial Chemistry Techniques, Drug Design, Fermentation, Gene Expression Regulation, Bacterial, Glycolysis, Heme, Heme Oxygenase (Decyclizing), Inhibitory Concentration 50, Leukocytes, Mass Spectrometry, Mice, Microscopy, Electron, Scanning, Naphthols, Phagocytes, Pyrazoles, Staphylococcal Infections, Staphylococcus aureus
Added March 7, 2014
1 Communities
2 Members
0 Resources
21 MeSH Terms
Characteristics of lung cancers harboring NRAS mutations.
Ohashi K, Sequist LV, Arcila ME, Lovly CM, Chen X, Rudin CM, Moran T, Camidge DR, Vnencak-Jones CL, Berry L, Pan Y, Sasaki H, Engelman JA, Garon EB, Dubinett SM, Franklin WA, Riely GJ, Sos ML, Kris MG, Dias-Santagata D, Ladanyi M, Bunn PA, Pao W
(2013) Clin Cancer Res 19: 2584-91
MeSH Terms: Adenocarcinoma, Adult, Aged, Aged, 80 and over, Antineoplastic Agents, Benzimidazoles, Cell Line, Tumor, DNA Mutational Analysis, Female, GTP Phosphohydrolases, Gene Frequency, Genetic Association Studies, Humans, Inhibitory Concentration 50, Lung Neoplasms, Male, Membrane Proteins, Middle Aged, Mutation, Missense, Protein Kinase Inhibitors, Proto-Oncogene Proteins, Proto-Oncogene Proteins p21(ras), Pyridones, Pyrimidinones, ras Proteins
Added September 3, 2013
0 Communities
4 Members
0 Resources
25 MeSH Terms
High-throughput fluorescence assay of cytochrome P450 3A4.
Cheng Q, Guengerich FP
(2013) Methods Mol Biol 987: 157-62
MeSH Terms: Coumarins, Cytochrome P-450 CYP3A, Cytochrome P-450 CYP3A Inhibitors, Enzyme Assays, Humans, Inhibitory Concentration 50, Ketoconazole, Spectrometry, Fluorescence
Added March 26, 2014
0 Communities
1 Members
0 Resources
8 MeSH Terms
Benchmarking ligand-based virtual High-Throughput Screening with the PubChem database.
Butkiewicz M, Lowe EW, Mueller R, Mendenhall JL, Teixeira PL, Weaver CD, Meiler J
(2013) Molecules 18: 735-56
MeSH Terms: Algorithms, Animals, Area Under Curve, Computer Simulation, Databases, Chemical, Decision Trees, Drug Discovery, High-Throughput Screening Assays, Humans, Inhibitory Concentration 50, Ligands, Models, Chemical, Neural Networks, Computer, Quality Improvement, Quantitative Structure-Activity Relationship, ROC Curve, Support Vector Machine
Added January 24, 2015
1 Communities
1 Members
0 Resources
17 MeSH Terms
Isatin replacements applied to the highly selective, muscarinic M1 PAM ML137: continued optimization of an MLPCN probe molecule.
Melancon BJ, Poslusney MS, Gentry PR, Tarr JC, Sheffler DJ, Mattmann ME, Bridges TM, Utley TJ, Daniels JS, Niswender CM, Conn PJ, Lindsley CW, Wood MR
(2013) Bioorg Med Chem Lett 23: 412-6
MeSH Terms: Inhibitory Concentration 50, Isatin, Molecular Probes, Molecular Structure, Monoamine Oxidase Inhibitors, Receptor, Muscarinic M1
Added March 7, 2014
1 Communities
3 Members
0 Resources
6 MeSH Terms