Update of QSAR & Docking & Alignment Studies of the DNA Polymerase Inhibitors

Title:Update of QSAR & Docking & Alignment Studies of the DNA Polymerase Inhibitors

Volume: 8 Issue: 4

Author(s): Isela Garcia

Affiliation:

Keywords: DNA, enzyme, eukaryotic, LDA, procariotic, QSAR.

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 search for DNA polymerase inhibitors. In this work, we revised different computational studies for a very large and heterogeneous series of DNA polymerase inhibitors. Methods using bioinformatics, molecular docking, and quantitative structure-activity relationship (QSAR) were applied to develop new DNA polymerase inhibitors. First, we revised three servers like ChEMBL, PDB or PubMed to obtain databases of DNA polymerase inhibitors. Next, we reviewed previous works based on 2D-QSAR, 3D-QSAR, CoMFA, CoMSIA and Docking techniques, which studied different compounds to find out the structural requirements. And finally, we surveyed the more recent studies of alignments of DNA polymerase.

Cite this article as:

Garcia Isela, Update of QSAR & Docking & Alignment Studies of the DNA Polymerase Inhibitors, Current Bioinformatics 2013; 8 (4) . https://dx.doi.org/10.2174/1574893611308040009