Computational discovery of picomolar Q o site inhibitors of cytochrome bc 1 complex

Journal of the American Chemical Society

Volumn 134, Issue 27, 2012, Pages 11168-11176

  Hao, Ge Fei ^a   Wang, Fu ^a   Li, Hui ^a,b   Zhu, Xiao Lei ^a   Yang, Wen Chao ^a   Huang, Li Shar ^c   Wu, Jia Wei ^b   Berry, Edward A ^c   Yang, Guang Fu ^a  

^a CENTRAL CHINA NORMAL UNIVERSITY   (China)

^b TSINGHUA UNIVERSITY   (China)

^c State University of New York Upstate Medical University: College of Medicine   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING AFFINITIES; CRITICAL CHALLENGES; CYTOCHROME BC; CYTOCHROME C; DRUG DISCOVERY; DRUG DISCOVERY METHODS; HIGH-THROUGHPUT; MEMBRANE PROTEINS; MOLECULAR BASIS; POTENT COMPOUNDS; SCREENING TECHNIQUES; UBIQUINOL; VIRTUAL SCREENING;

BINDING ENERGY;

BIOLOGICAL MEMBRANES;

FUNGICIDE; PROTEIN INHIBITOR; UBIQUINOL CYTOCHROME C REDUCTASE;

ARTICLE; BINDING AFFINITY; CARBON NUCLEAR MAGNETIC RESONANCE; CHEMICAL STRUCTURE; DRUG INHIBITION; FRAGMENT BASED DRUG DISCOVERY; HIGH THROUGHPUT SCREENING; NONHUMAN; PHARMACOLOGICAL PROCEDURES; PHARMACOPHORE; PHARMACOPHORE LINKED FRAGMENT VIRTUAL SCREENING; PROTON NUCLEAR MAGNETIC RESONANCE; X RAY DIFFRACTION;

ANIMALS; CHICKENS; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; ELECTRON TRANSPORT COMPLEX III; MODELS, MOLECULAR; PROTEIN BINDING; SMALL MOLECULE LIBRARIES; SWINE; THERMODYNAMICS;

EID: 84863834582     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja3001908     Document Type: Article

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