A Priori Prediction of Activity for HIV-1 Protease Inhibitors Employing Energy Minimization in the Active Site

Journal of Medicinal Chemistry

Volumn 38, Issue 2, 1995, Pages 305-317

  Holloway, M Katharine ^a   Wai, Jenny M ^a   Halgren, Thomas A ^a   Fitzgerald, Paula M D ^a   Vacca, Joseph P ^a   Dorsey, Bruce D ^a   Levin, Rhonda B ^a   Thompson, Wayne J ^a   Chen, L Jenny ^a   deSolms, S Jane ^a   Gaffin, Neil ^a   Ghosh, Arun K ^a   Giuliani, Elizabeth A ^a   Graham, Samuel L ^a   Guare, James P ^a   Hungate, Randall W ^a   Lyle, Terry A ^a   Sanders, William M ^a   Tucker, Thomas J ^a   Wiggins, Mark ^a   Wiscount, Catherine M ^a   Woltersdorf, Otto W ^a   Young, Steven D ^a   Darke, Paul L ^a   Zugay, Joan A ^a   more..

^a MERCK RESEARCH LABORATORIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HIV 1 PROTEINASE INHIBITOR; INDINAVIR; L 689502; N (2 HYDROXY 1 INDANYL) 5 (1,1 DIMETHYLETHOXYCARBONYLAMINO) 4 HYDROXY 6 PHENYL 2 [4 [2 (4 MORPHOLINYL)ETHOXY]BENZYL]HEXANAMIDE; PROTEINASE INHIBITOR; UNCLASSIFIED DRUG; VIRUS ENZYME;

ARTICLE; CLINICAL TRIAL; DRUG DESIGN; DRUG MECHANISM; DRUG STRUCTURE; DRUG SYNTHESIS; DRUG TARGETING; ENZYME ACTIVE SITE; HUMAN; HUMAN IMMUNODEFICIENCY VIRUS 1; HUMAN IMMUNODEFICIENCY VIRUS INFECTION; PHASE 2 CLINICAL TRIAL;

BINDING SITES; COMPUTER-AIDED DESIGN; DRUG DESIGN; HIV PROTEASE; HIV PROTEASE INHIBITORS; MODELS, MOLECULAR; PROTEIN STRUCTURE, TERTIARY; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS;

EID: 0029063951     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/jm00002a012     Document Type: Article

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