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Discovery of novel and potent InhA direct inhibitors by ensemble docking-based virtual screening and biological assays
Qianqian Zhang
, Jianting Han
, Yongchang Zhu
, Fansen Yu
, Xiaopeng Hu
,
Henry H.Y. Tong
,
Huanxiang Liu
Faculty of Health Sciences and Sports
Faculty of Applied Sciences
Macao Polytechnic University
Lanzhou University
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引文 斯高帕斯（Scopus）
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Immunology and Microbiology
Multi-Drug-Resistant Tuberculosis
100%
IC50
50%
Binding Affinity
50%
Van der Waals Interactions
50%
Conformation
50%
Skeleton
50%
Membrane Transport Protein
50%
Cell Wall
50%
Infectious Disease
50%
Mycobacterium Tuberculosis
50%
Computer Simulation
50%
Chemistry
Statistical Ensemble
100%
Bioassay
100%
Virtual Screening
100%
Van Der Waals Force
33%
Kd
33%
IC50
33%
Acyl-Carrier Protein
33%
Molecular dynamics simulation
33%
formation
33%
Free Energy
33%
Biochemistry, Genetics and Molecular Biology
Bioassay
100%
Conformation
50%
Clinical Research
50%
IC50
50%
Binding Affinity
50%
Enzyme
50%
Enoyl-Acyl Carrier Protein Reductase
50%
Mycobacterium Tuberculosis
50%
Computer Simulation
50%
Pharmacology, Toxicology and Pharmaceutical Science
Bioassay
100%
Virtual Screening
100%
Multi-Drug-Resistant Tuberculosis
66%
Clinical Research
33%
Infection
33%
Oxidoreductase
33%
Acyl Carrier Protein
33%
IC50
33%
Mycobacterium Tuberculosis
33%
Van Der Waals Force
33%