Residue-Ligand Interaction Energy (ReLIE) on a Receptor-Dependent 3D-QSAR Analysis of S- and NH-DABOs as Non-Nucleoside Reverse Transcriptase Inhibitors

Residue-Ligand Interaction Energy (ReLIE) on a Receptor-Dependent 3D-QSAR Analysis of S- and NH-DABOs as Non-Nucleoside Reverse Transcriptase Inhibitors

<em></em>A series of 74 dihydroalkoxybenzyloxopyrimidines (DABOs), a class of highly potent non-nucleoside reverse transcriptase inhibitors (NNRTIs), was retrieved from the literature and studied by receptor-dependent (RD) three-dimensional quantitative structure-activity...

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Bibliographic Details
Main Authors: Monique Araújo de Brito, Carlos Rangel Rodrigues, José Jair Viana Cirino, Jocley Queiroz Araújo, Thiago Honório, Lúcio Mendes Cabral, Ricardo Bicca de Alencastro, Helena Carla Castro, Magaly Girão Albuquerque
Format: Article
Language:English
Published: MDPI AG 2012-06-01
Series:Molecules
Subjects:
receptor-dependent 3D-QSAR
residue-ligand interaction energy
molecular dynamics
DABO derivatives
reverse transcriptase
AIDS/HIV-1
Online Access:http://www.mdpi.com/1420-3049/17/7/7666

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