Lead validation and SAR development via chemical similarity searching; application to compounds targeting the pY+3 site of the SH2 domain of p56 lck

Journal of Chemical Information and Modeling

Volumn 45, Issue 6, 2005, Pages 1759-1766

  Macias, Alba T ^a   Mia, Md Younus ^a   Xia, Guanjun ^a   Hayashi, Jun ^a   MacKerell, Alexander D ^a  

^a UNIVERSITY OF MARYLAND   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DATABASE SYSTEMS; ENZYME INHIBITION; ENZYMES; IMMUNOLOGY; MOLECULAR STRUCTURE; OPTIMIZATION;

ACID RESIDUES; CHEMICAL SIMILARITY; COMPOUND SELECTION; PROTEIN INTERACTIONS;

CHEMICAL ANALYSIS;

ENZYME INHIBITOR; PROTEIN KINASE LCK;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DRUG ANTAGONISM; DRUG EFFECT; DRUG SCREENING; ENZYME IMMUNOASSAY; HYDROGEN BOND; IMMUNOBLOTTING; MIXED LYMPHOCYTE CULTURE; PROTEIN CONFORMATION; SRC HOMOLOGY DOMAIN; STRUCTURE ACTIVITY RELATION;

COMPUTER SIMULATION; DRUG EVALUATION, PRECLINICAL; ENZYME INHIBITORS; HYDROGEN BONDING; IMMUNOBLOTTING; IMMUNOENZYME TECHNIQUES; LYMPHOCYTE CULTURE TEST, MIXED; LYMPHOCYTE SPECIFIC PROTEIN TYROSINE KINASE P56(LCK); MODELS, CHEMICAL; MODELS, MOLECULAR; PROTEIN CONFORMATION; SRC HOMOLOGY DOMAINS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 28944440837     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci050225z     Document Type: Conference Paper

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