A combination of molecular dynamics and docking calculations to explore the binding mode of ADS-J1, a polyanionic compound endowed with anti-HIV-1 activity.

Manetti, Fabrizio; Tintori, Cristina; Armand-Ugón, Mercedes; Clotet-Codina, Imma; Massa, Silvio; Ragno, Rino; Esté, José A; Botta, Maurizio

Manetti, Fabrizio; Tintori, Cristina; Armand-Ugón, Mercedes; Clotet-Codina, Imma; Massa, Silvio; Ragno, Rino; Esté, José A; Botta, Maurizio.

Affiliation

Manetti F; Dipartimento Farmaco Chimico Tecnologico, Università degli Studi di Siena, I-53100 Siena, Italy.

J Chem Inf Model ; 46(3): 1344-51, 2006.

Article in En | MEDLINE | ID: mdl-16711753

Subject(s)

Anti-HIV Agents/pharmacology; HIV-1/drug effects; Naphthalenesulfonates/pharmacology; Triazines/pharmacology; Anti-HIV Agents/metabolism; Binding Sites; HIV Envelope Protein gp120/metabolism; HIV-1/physiology; Naphthalenesulfonates/metabolism; Triazines/metabolism; Virus Replication

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Collection: 01-internacional Database: MEDLINE Main subject: Triazines / HIV-1 / Anti-HIV Agents / Naphthalenesulfonates Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2006 Document type: Article Affiliation country: Italy Country of publication: United States

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