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

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

Volume: 7 Issue: 4

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

Affiliation:

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

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.

Cite this article as:

Garcia Isela, Fall Yagamare and Gomez Generosa, Review of QSAR for DNA Polymerase Inhibitors and New Models for Heterogeneous Series of Compounds, Current Computer-Aided Drug Design 2011; 7 (4) . https://dx.doi.org/10.2174/157340911798260331