Subnanomolar inhibitor of cytochrome bc1 complex designed by optimizing interaction with conformationally flexible residues

Journal of the American Chemical Society

Volumn 132, Issue 1, 2010, Pages 185-194

  Zhao, Pei Liang ^a   Wang, Le ^b   Zhu, Xiao Lei ^a   Huang, Xiaoqin ^c   Zhan, Chang Guo ^c   Wu, Jia Wei ^b   Yang, Guang Fu ^a  

^a CENTRAL CHINA NORMAL UNIVERSITY   (China)

^b TSINGHUA UNIVERSITY   (China)

^c University of Kentucky   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AZOXYSTROBIN; BINDING FREE ENERGY; BINDING POCKETS; CONFORMATIONAL FLEXIBILITY; CONFORMATIONAL STABILITIES; CORRELATION COEFFICIENT; CYTOCHROME C; DISSOCIATION RATE CONSTANT; DRUG DISCOVERY; ESSENTIAL COMPONENT; HYDROPHOBIC RESIDUES; KINETICS STUDIES; KRESOXIM-METHYL; PHENYL GROUP; PHOTOSYNTHETIC APPARATUS; PHOTOSYNTHETIC BACTERIAS; RESPIRATORY CHAINS; SIDE CHAINS; STRUCTURE-BASED; UBIQUINOL; X-RAY DIFFRACTION STRUCTURE;

BACTERIA; COMPLEXATION; DISSOCIATION; FREE ENERGY; FUNGICIDES; LEAD COMPOUNDS; OPTIMIZATION; RATE CONSTANTS;

BINDING ENERGY;

AZOXYSTROBIN; FUNGICIDE; KRESOZIMMETHYL; OXIDOREDUCTASE INHIBITOR; PHENYL GROUP; PYRACLOSTROBIN; PYRAZOLE DERIVATIVE; UBIQUINOL CYTOCHROME C REDUCTASE; UBIQUINOL CYTOCHROME C REDUCTASE INHIBITOR; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; COMPLEX FORMATION; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; DRUG BINDING SITE; DRUG DESIGN; DRUG POTENCY; DRUG STRUCTURE; DRUG SYNTHESIS; ENZYME STABILITY; ENZYME STRUCTURE; HYDROPHOBICITY; X RAY DIFFRACTION;

ANIMALS; COMPUTER SIMULATION; DRUG DESIGN; ELECTRON TRANSPORT COMPLEX III; ENZYME INHIBITORS; KINETICS; MODELS, MOLECULAR; PROTEIN BINDING; PROTEIN CONFORMATION; SEQUENCE HOMOLOGY, AMINO ACID; SUBSTRATE SPECIFICITY; SWINE;

EID: 74849140347     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja905756c     Document Type: Article

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