Is the conformational flexibility of piperazine derivatives important to inhibit HIV-1 replication?

Journal of Molecular Graphics and Modelling

Volumn 44, Issue , 2013, Pages 91-103

  Teixeira, Cátia ^a   Serradji, Nawal ^a   Amroune, Souad ^a   Storck, Karen ^b   Rogez Kreuz, Christine ^b   Clayette, Pascal ^b   Barbault, Florent ^a   Maurel, François ^a  

^a UNIVERSITÉ PARIS DESCARTES   (France)

^b INSTITUT DE RADIOPROTECTION ET DE SÛRETÉ NUCLÉAIRE   (France)

Author keywords

BMS 378806; Conformational flexibility; Docking and molecular dynamics; HIV 1 gp120; Piperazine derivatives

Indexed keywords

BINDING ENERGY; BINS; MOLECULAR DYNAMICS; MOLECULES;

ANTIVIRAL ACTIVITIES; BMS-378806; CONFORMATIONAL ANALYSIS; CONFORMATIONAL FLEXIBILITY; HIV-1 GP120; INHIBITORY ACTIVITY; PIPERAZINE DERIVATIVES; STRUCTURAL SIMILARITY;

CONFORMATIONS;

4 BENZOYL 1 [(4 METHOXY 1H PYRROLO[2,3 B]PYRIDIN 3 YL)OXOACETYL] 2 METHYLPIPERAZINE; GLYCOPROTEIN GP 120; PIPERAZINE DERIVATIVE; ZIDOVUDINE;

ANTIVIRAL ACTIVITY; ARTICLE; COMPLEX FORMATION; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; CYTOTOXICITY; DRUG DESIGN; DRUG SCREENING; DRUG SYNTHESIS; HUMAN IMMUNODEFICIENCY VIRUS 1; IN VITRO STUDY; LYMPHOCYTE; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PRIORITY JOURNAL; VIRUS REPLICATION;

HUMAN IMMUNODEFICIENCY VIRUS 1;

BMS-378806; CONFORMATIONAL FLEXIBILITY; DOCKING AND MOLECULAR DYNAMICS; HIV-1 GP120; PIPERAZINE DERIVATIVES;

ANTI-HIV AGENTS; BINDING SITES; HIV ENVELOPE PROTEIN GP120; HIV-1; HUMANS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; PIPERAZINES; PROTEIN BINDING; PROTEIN CONFORMATION; VIRUS REPLICATION;

EID: 84878745092     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2013.05.003     Document Type: Article

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