Application of fragment screening and merging to the discovery of inhibitors of the mycobacterium tuberculosis cytochrome P450 CYP121

Angewandte Chemie - International Edition

Volumn 51, Issue 37, 2012, Pages 9311-9316

  Hudson, Sean A ^a   McLean, Kirsty J ^b   Surade, Sachin ^a   Yang, Yong Qing ^a,c   Leys, David ^b   Ciulli, Alessio ^a   Munro, Andrew W ^b   Abell, Chris ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b UNIVERSITY OF MANCHESTER   (United Kingdom)

^c Shanghai ChemPartner Co Ltd   (China)

Author keywords

cytochrome P450; drug design; fragment screening; tuberculosis

Indexed keywords

CYTOCHROME P450; DRUG DESIGN; DRUG DEVELOPMENT; MYCOBACTERIUM TUBERCULOSIS; TUBERCULOSIS;

ENZYMES; LEAD COMPOUNDS; MERGING;

TUBES (COMPONENTS);

BACTERIAL PROTEIN; CYCLOHEXANONE; CYCLOHEXANONE DERIVATIVE; CYTOCHROME P 450 CYP121; CYTOCHROME P-450 CYP121; CYTOCHROME P450; LIGAND;

ARTICLE; BINDING SITE; CHEMISTRY; DRUG ANTAGONISM; DRUG DESIGN; DRUG SCREENING; METABOLISM; MYCOBACTERIUM TUBERCULOSIS; PROTEIN TERTIARY STRUCTURE; STRUCTURE ACTIVITY RELATION; X RAY CRYSTALLOGRAPHY;

BACTERIAL PROTEINS; BINDING SITES; CRYSTALLOGRAPHY, X-RAY; CYCLOHEXANONES; CYTOCHROME P-450 ENZYME SYSTEM; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; LIGANDS; MYCOBACTERIUM TUBERCULOSIS; PROTEIN STRUCTURE, TERTIARY; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84865835782     PISSN: 14337851     EISSN: 15213773     Source Type: Journal    
DOI: 10.1002/anie.201202544     Document Type: Article

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