Targeting tuberculosis and malaria through inhibition of Enoyl reductase: compound activity and structural data - Wikidata - awgldk - TriplyDB

Targeting tuberculosis and malaria through inhibition of Enoyl reductase: compound activity and structural data

Targeting tuberculosis and malaria through inhibition of Enoyl reductase: compound activity and structural data

http://www.wikidata.org/entity/Q27640586

about

A virtual screen discovers novel, fragment-sized inhibitors of Mycobacterium tuberculosis InhA X-ray structural analysis of Plasmodium falciparum enoyl acyl carrier protein reductase as a pathway toward the optimization of triclosan antimalarial efficacy Inhibition of the Mycobacterium tuberculosis enoyl acyl carrier protein reductase InhA by arylamides Triclosan Derivatives: Towards Potent Inhibitors of Drug-Sensitive and Drug-ResistantMycobacterium tuberculosis Slow-Onset Inhibition of the FabI Enoyl Reductase from Francisella tularensis : Residence Time and in Vivo Activity Effect of substrate binding loop mutations on the structure, kinetics, and inhibition of enoyl acyl carrier protein reductase from Plasmodium falciparum High-resolution structures ofThermus thermophilusenoyl-acyl carrier protein reductase in the apo form, in complex with NAD+and in complex with NAD+and triclosan Pyridomycin bridges the NADH- and substrate-binding pockets of the enoyl reductase InhA A machine learning-based method to improve docking scoring functions and its application to drug repurposing Drug discovery using chemical systems biology: repositioning the safe medicine Comtan to treat multi-drug and extensively drug resistant tuberculosis The Mycobacterium tuberculosis drugome and its polypharmacological implications Discovery of Mycobacterium tuberculosis InhA Inhibitors by Binding Sites Comparison and Ligands Prediction.Automatic design of decision-tree induction algorithms tailored to flexible-receptor docking data.Context-based preprocessing of molecular docking data Identification of new diamine scaffolds with activity against Mycobacterium tuberculosis.Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis Functional, thermodynamics, structural and biological studies of in silico-identified inhibitors of Mycobacterium tuberculosis enoyl-ACP(CoA) reductase enzyme.Mining flexible-receptor docking experiments to select promising protein receptor snapshots.New small-molecule synthetic antimycobacterials.Targeting the Lipid Metabolic Pathways for the Treatment of Malaria.Novel inhibitors of InhA efficiently kill Mycobacterium tuberculosis under aerobic and anaerobic conditions.Discovery of a novel and potent class of F. tularensis enoyl-reductase (FabI) inhibitors by molecular shape and electrostatic matching FReDoWS: a method to automate molecular docking simulations with explicit receptor flexibility and snapshots selection.Effect of the explicit flexibility of the InhA enzyme from Mycobacterium tuberculosis in molecular docking simulations.Optimization and visualization of the edge weights in optimal assignment methods for virtual screening.Functional characterization of a fatty acyl-CoA-binding protein (ACBP) from the apicomplexan Cryptosporidium parvum.Identifying apicoplast-targeting antimalarials using high-throughput compatible approaches Antimalarial drug discovery: efficacy models for compound screening.'FAS't inhibition of malaria.Evolution of a thienopyrimidine antitubercular relying on medicinal chemistry and metabolomics insights.Parasite plastids: approaching the endgame.The plastid-derived organelle of protozoan human parasites as a target of established and emerging drugs.Virtually Designed Triclosan-Based Inhibitors of Enoyl-Acyl Carrier Protein Reductase of Mycobacterium tuberculosis and of Plasmodium falciparum.Antimalarial drugs: current status and new developments.Innovative lead discovery strategies for tropical diseases.Celastrol inhibits Plasmodium falciparum enoyl-acyl carrier protein reductase.Synthesis and in vitro antimycobacterial activity of B-ring modified diaryl ether InhA inhibitors.wFReDoW: a cloud-based web environment to handle molecular docking simulations of a fully flexible receptor model.Antitubercular drugs for an old target: GSK693 as a promising InhA direct inhibitor.Substituted diphenyl ethers as a broad-spectrum platform for the development of chemotherapeutics for the treatment of tularaemia

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P2860

Targeting tuberculosis and malaria through inhibition of Enoyl reductase: compound activity and structural data

http://www.wikidata.org/entity/Q27640586

description

2003 nî lūn-bûn

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2003 թուականի Յունիսին հրատարակուած գիտական յօդուած

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2003 թվականի հունիսին հրատարակված գիտական հոդված

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2003年の論文

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2003年論文

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2003年論文

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2003年论文

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name

Targeting tuberculosis and mal ...... d activity and structural data

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Targeting tuberculosis and mal ...... d activity and structural data

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Targeting tuberculosis and mal ...... d activity and structural data

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type

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Targeting tuberculosis and mal ...... d activity and structural data

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Targeting tuberculosis and mal ...... d activity and structural data

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Targeting tuberculosis and mal ...... d activity and structural data

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Targeting tuberculosis and mal ...... d activity and structural data

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Targeting tuberculosis and mal ...... d activity and structural data

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Targeting tuberculosis and mal ...... d activity and structural data

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Targeting tuberculosis and mal ...... d activity and structural data

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Andrew D Janjigian

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Barry Kreiswirth

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Brian B Gourlie

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Christopher Yee

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David Alland

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Hector R Morbidoni

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Hiroyuki Iwamoto

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James C Sacchettini

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Jill S Gregory

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Mack R Kuo

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scholarly article

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1788518

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10.1074/JBC.M211968200

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23

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278

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David A. Fidock

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2003-02-26T00:00:00Z

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12606558

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Akafuba bulwadde