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Current Computer-Aided Drug Design

Editor-in-Chief

ISSN (Print): 1573-4099
ISSN (Online): 1875-6697

Review of QSAR for DNA Polymerase Inhibitors and New Models for Heterogeneous Series of Compounds

Author(s): Isela Garcia, Yagamare Fall and Generosa Gomez

Volume 7 , Issue 4 , 2011

Page: [249 - 254] Pages: 6

DOI: 10.2174/157340911798260331

Price: $65

Abstract

DNA polymerases are essential enzymes for DNA replication, repair and recombination. The high number of possible candidates creates the necessity of Quantitative Structure-Activity Relationship models in order to guide the DNA polymerase inhibitors. In this work, we revised different computational studies for a very large and heterogeneous series of DNA polymerase inhibitors. First, we reviewed QSAR methods with different compounds to find out the structural requirements for DNA polymerase inhibitory activity. Last, we report a new LDA analysis with the different molecular descriptors calculated with DRAGON software.

Keywords: DNA, enzyme, eukaryotic, LDA, prokaryotic, QSAR, polymerases, docking, high-throughput screening, topological descriptors


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