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Type: Artigo de periódico
Title: A Priori Molecular Descriptors In Qsar: A Case Of Hiv-1 Protease Inhibitors. Ii. Molecular Graphics And Modeling.
Author: Kiralj, Rudolf
Ferreira, Márcia M C
Abstract: Molecular graphics and modeling methods illustrated the chemical background of the a priori approach from part I, and visualized steric and electronic enzyme-inhibitor relationships at qualitative and quantitative level for 34 and its derivatives. The enzyme-inhibitor electron density overlap occurs at 1.5-5.5A cut-off distance, beyond van der Waals radii. Derivatives of 34 exhibit linear relationships between biological activity, molecular size and number of intermolecular interactions.
Subject: Binding Sites
Hiv Protease
Hiv Protease Inhibitors
Models, Molecular
Protein Structure, Tertiary
Quantitative Structure-activity Relationship
Rights: fechado
Identifier DOI: 10.1016/S1093-3263(02)00202-4
Date Issue: 2003
Appears in Collections:Artigos e Materiais de Revistas Científicas - Unicamp

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