Molecular modeling study on the allosteric inhibition mechanism of HIV-1 integrase by LEDGF/p75 binding site inhibitors

PLoS ONE

Volumn 9, Issue 3, 2014, Pages

  Xue, Weiwei ^a   Liu, Huanxiang ^b   Yao, Xiaojun ^a,c  

^a LANZHOU UNIVERSITY   (China)

^b LANZHOU UNIVERSITY   (China)

^c MACAU UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Macao)

Author keywords

[No Author keywords available]

Indexed keywords

BI 1001; CX 14442; ENZYME INHIBITOR; INTEGRASE; LENS EPITHELIUM DERIVED GROWTH FACTOR; PROTEIN P75; UNCLASSIFIED DRUG;

ALLOSTERISM; ARTICLE; BINDING AFFINITY; BINDING SITE; COMPLEX FORMATION; CONTROLLED STUDY; DRUG SCREENING; DRUG STRUCTURE; ENZYME ACTIVE SITE; ENZYME ACTIVITY; ENZYME INHIBITION; HUMAN IMMUNODEFICIENCY VIRUS 1; HYDROGEN BOND; HYDROPHILICITY; HYDROPHOBICITY; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR MODEL; NONHUMAN; PROTEIN BINDING; PROTEIN DETERMINATION; PROTEIN DOMAIN; PROTEIN FUNCTION; RESIDUE ANALYSIS; VIRUS CELL INTERACTION; VIRUS INHIBITION;

ALLOSTERIC REGULATION; AMINO ACID MOTIFS; BINDING SITES; CATALYTIC DOMAIN; HIV INTEGRASE; HIV INTEGRASE INHIBITORS; INTERCELLULAR SIGNALING PEPTIDES AND PROTEINS; LIGANDS; MODELS, MOLECULAR; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; PROTEIN MULTIMERIZATION; STATIC ELECTRICITY; THERMODYNAMICS;

EID: 84897131414     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0090799     Document Type: Article

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