Title:Update of QSAR & Docking & Alignment Studies of the DNA Polymerase Inhibitors
VOLUME: 8 ISSUE: 4
Author(s):Isela Garcia
Affiliation:Departament of Organic Chemistry, University of Vigo, Spain.
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.
