The role of molecular modeling in the design of analogues of the fungicidal natural products crocacins A and D

Bioorganic and Medicinal Chemistry

Volumn 16, Issue 24, 2008, Pages 10345-10355

  Crowley, Patrick J ^a   Berry, Edward A ^b   Cromartie, Thomas ^c   Daldal, Fevzi ^d   Godfrey, Christopher R A ^e   Lee, Dong Woo ^d   Phillips, Janet E ^a   Taylor, Anne ^a   Viner, Russell ^a  

^a JEALOTT S HILL INTERNATIONAL RESEARCH CENTRE   (United Kingdom)

^b SUNY UPSTATE MEDICAL UNIVERSITY   (United States)

^c Aduro BioTech Inc   (United States)

^d UNIVERSITY OF PENNSYLVANIA   (United States)

^e SYNGENTA CROP PROTECTION AG   (Switzerland)

Author keywords

Crocacin; Fungicide; Inhibitor; Modeling; Respiration

Indexed keywords

CROCACIN A; CROCACIN D; DRUG ANALOG; FUNGICIDE; UBIQUINOL CYTOCHROME C REDUCTASE; UNCLASSIFIED DRUG;

ARTICLE; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; DRUG ACTIVITY; DRUG BINDING; DRUG DESIGN; DRUG SYNTHESIS; MITOCHONDRIAL RESPIRATION; MOLECULAR MODEL; NONHUMAN;

ALKENES; AMIDES; ANTIFUNGAL AGENTS; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; ELECTRON SPIN RESONANCE SPECTROSCOPY; ELECTRON TRANSPORT COMPLEX III; INHIBITORY CONCENTRATION 50; MITOCHONDRIA; MODELS, CHEMICAL; MODELS, MOLECULAR; MULTIENZYME COMPLEXES; NADH, NADPH OXIDOREDUCTASES; PROTEIN STRUCTURE, TERTIARY; STRUCTURE-ACTIVITY RELATIONSHIP;

MAMMALIA;

EID: 56649111202     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2008.10.030     Document Type: Article

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