title: Toward novel HIV-1 integrase binding inhibitors: molecular modeling, synthesis, and biological studies.
abstract: The identification of a novel hit compound as integrase binding inhibitor has been accomplished by means of virtual screening techniques. A small family of structurally related molecules has been synthesized and biologically evaluated with one of the compounds showing an IC(50)=12 microM.
authors: Dipartimento Farmaco Chimico Tecnologico, Università degli Studi di Siena, Via A. De Gasperi 2, I-53100 Siena, Italy.
authors: Claudia
authors: C
authors: Mugnaini
authors: Suvi
authors: S
authors: Rajamaki
authors: Cristina
authors: C
authors: Tintori
authors: Federico
authors: F
authors: Corelli
authors: Silvio
authors: S
authors: Massa
authors: Myriam
authors: M
authors: Witvrouw
authors: Zeger
authors: Z
authors: Debyser
authors: Veljko
authors: V
authors: Veljkovic
authors: Maurizio
authors: M
authors: Botta
mesh_terms: D003198:Computer Simulation; D016208:Databases, Factual; D004353:Drug Evaluation, Preclinical; D019428:HIV Integrase Inhibitors / Q000138:chemical synthesis* / Q000494:pharmacology*; D015497:HIV-1 / Q000187:drug effects* / Q000201:enzymology; D007202:Indicators and Reagents; D008024:Ligands; D008958:Models, Molecular
chemical_list: D019428:HIV Integrase Inhibitors; D007202:Indicators and Reagents; D008024:Ligands