Discovery of a novel and potent class of F. tularensis enoyl-reductase (FabI) inhibitors by molecular shape and electrostatic matching
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Structural and Enzymatic Analyses Reveal the Binding Mode of a Novel Series of Francisella tularensis Enoyl Reductase (FabI) InhibitorsThe benzimidazole based drugs show good activity against T. gondii but poor activity against its proposed enoyl reductase enzyme targetA structural and energetic model for the slow-onset inhibition of the Mycobacterium tuberculosis enoyl-ACP reductase InhA.Discovery of Mycobacterium tuberculosis InhA Inhibitors by Binding Sites Comparison and Ligands Prediction.Discovery of Mycobacterium tuberculosis α-1,4-glucan branching enzyme (GlgB) inhibitors by structure- and ligand-based virtual screening.Structural and biological evaluation of a novel series of benzimidazole inhibitors of Francisella tularensis enoyl-ACP reductase (FabI)Metabolism-directed structure optimization of benzimidazole-based Francisella tularensis enoyl-reductase (FabI) inhibitors.An NMR-Guided Screening Method for Selective Fragment Docking and Synthesis of a Warhead Inhibitor.Prospective evaluation of shape similarity based pose prediction method in D3R Grand Challenge 2015.Structure-based screening, ADMET profiling, and molecular dynamic studies on mGlu2 receptor for identification of newer antiepileptic agents.Comparison of radii sets, entropy, QM methods, and sampling on MM-PBSA, MM-GBSA, and QM/MM-GBSA ligand binding energies of F. tularensis enoyl-ACP reductase (FabI).Evaluating thermodynamic integration performance of the new amber molecular dynamics package and assess potential halogen bonds of enoyl-ACP reductase (FabI) benzimidazole inhibitors.Bis-indolic compounds as potential new therapeutic alternatives for tularaemia.Drugs in development for toxoplasmosis: advances, challenges, and current status.Inhibitors of fatty acid synthesis in prokaryotes and eukaryotes as anti-infective, anticancer and anti-obesity drugs.Recent advances in inhibitors of bacterial fatty acid synthesis type II (FASII) system enzymes as potential antibacterial agents.Recent Advances in the Rational Design and Optimization of Antibacterial Agents.Benzimidazole-Based FabI Inhibitors: A Promising Novel Scaffold for Anti-staphylococcal Drug Development.Homology model, molecular dynamics simulation and novel pyrazole analogs design of Candida albicans CYP450 lanosterol 14 α-demethylase, a target enzyme for antifungal therapy.Eg5 inhibitor YL001 induces mitotic arrest and inhibits tumor proliferation.Identification of novel hits as highly prospective dual agonists for mu and kappa opioid receptors: an integrated in silico approach.Exploring pyrazolo[3,4-d]pyrimidine phosphodiesterase 1 (PDE1) inhibitors: a predictive approach combining comparative validated multiple molecular modelling techniques.Cell wall permeability assisted virtual screening to identify potential direct InhA inhibitors of Mycobacterium tuberculosis and their biological evaluation.A pose prediction approach based on ligand 3D shape similarity.Advances in the Development of Shape Similarity Methods and Their Application in Drug Discovery
P2860
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P2860
Discovery of a novel and potent class of F. tularensis enoyl-reductase (FabI) inhibitors by molecular shape and electrostatic matching
description
2011 nî lūn-bûn
@nan
2011 թուականի Դեկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2011 թվականի դեկտեմբերին հրատարակված գիտական հոդված
@hy
2011年の論文
@ja
2011年論文
@yue
2011年論文
@zh-hant
2011年論文
@zh-hk
2011年論文
@zh-mo
2011年論文
@zh-tw
2011年论文
@wuu
name
Discovery of a novel and poten ...... ape and electrostatic matching
@ast
Discovery of a novel and poten ...... ape and electrostatic matching
@en
Discovery of a novel and potent class of F. tularensis enoyl-reductase
@nl
type
label
Discovery of a novel and poten ...... ape and electrostatic matching
@ast
Discovery of a novel and poten ...... ape and electrostatic matching
@en
Discovery of a novel and potent class of F. tularensis enoyl-reductase
@nl
prefLabel
Discovery of a novel and poten ...... ape and electrostatic matching
@ast
Discovery of a novel and poten ...... ape and electrostatic matching
@en
Discovery of a novel and potent class of F. tularensis enoyl-reductase
@nl
P2093
P2860
P356
P1476
Discovery of a novel and poten ...... ape and electrostatic matching
@en
P2093
James L Cook
Jiangping Deng
Kent Truong
Mahmood Ghassemi
Michael E Johnson
Pin-Chih Su
Shahila Mehboob
Teuta Boci
P2860
P304
P356
10.1021/JM201168G
P407
P577
2011-12-05T00:00:00Z