Litchi chinensis-derived terpenoid as anti-HIV-1 protease agent: Structural design from molecular dynamics simulations

Molecular Simulation

Volumn 35, Issue 8, 2009, Pages 673-680

  Nimmanpipug, Piyarat ^a   Lee, Vannajan S ^a   Wolschann, Peter ^b   Hannongbua, Supot ^c  

^a CHIANG MAI UNIVERSITY   (Thailand)

^b UNIVERSITY OF VIENNA   (Austria)

^c CHULALONGKORN UNIVERSITY   (Thailand)

Author keywords

3 oxotirucalla 7,24 dien 21 oic acid; HIV 1 protease; MD simulation; Natural product

Indexed keywords

3-OXOTIRUCALLA-7,24-DIEN-21-OIC ACID; ACTIVE SITE; ANTI-HIV; ASPARTATES; DIRECT INTERACTIONS; DRUG DEVELOPMENT; HIV-1 PROTEASE; HUMAN IMMUNODEFICIENCY VIRUS-1; HYDROGEN BONDINGS; INHIBITOR COMPLEX; LITCHI CHINENSIS; MD SIMULATION; MOLECULAR DYNAMICS SIMULATIONS; NATURAL PRODUCT; NATURAL PRODUCTS; OXYGEN ATOM; PROTEASE COMPLEX; RADIAL DISTRIBUTION FUNCTIONS; TERPENOIDS; WATER MOLECULE;

ACIDS; CARBOXYLATION; DISTRIBUTION FUNCTIONS; DRUG PRODUCTS; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULES; OXYGEN; RECONSTRUCTION (STRUCTURAL); STRUCTURAL DESIGN;

VIRUSES;

EID: 70449589336     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020802714841     Document Type: Article

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