Some insights into mechanism for binding and drug resistance of wild type and I50V V82A and I84V mutations in HIV-1 protease with GRL-98065 inhibitor from molecular dynamic simulations

European Journal of Medicinal Chemistry

Volumn 45, Issue 1, 2010, Pages 227-235

  Hu, Guo Dong ^a   Zhu, Tong ^a   Zhang, Shao Long ^a   Wang, Dunyou ^a   Zhang, Qing Gang ^a  

^a SHANDONG NORMAL UNIVERSITY   (China)

Author keywords

Drug resistance; HIV 1 protease; MM PBSA; Molecular dynamics simulation

Indexed keywords

GRL 98065; PROTEINASE; PROTEINASE INHIBITOR; UNCLASSIFIED DRUG;

ARTICLE; CONTROLLED STUDY; DRUG RESISTANCE; ENTHALPY; ENTROPY; GENE MUTATION; HUMAN IMMUNODEFICIENCY VIRUS 1; HYDROGEN BOND; MOLECULAR DYNAMICS; PROTEIN BINDING; SIMULATION; WILD TYPE;

DRUG RESISTANCE, VIRAL; ENZYME STABILITY; HIV PROTEASE; HIV PROTEASE INHIBITORS; HIV-1; MOLECULAR DYNAMICS SIMULATION; MUTANT PROTEINS; MUTATION; PROTEIN BINDING; PROTEIN CONFORMATION; STRUCTURE-ACTIVITY RELATIONSHIP; SULFONAMIDES; THERMODYNAMICS;

EID: 72049127781     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2009.09.048     Document Type: Article

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