Current Bioinformatics

Yi-Ping Phoebe Chen
Department of Computer Science and Information Technology
La Trobe University
Melbourne
Australia

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

Author(s): Isela Garcia.

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.

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

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Article Details

VOLUME: 8
ISSUE: 4
Year: 2013
Page: [472 - 482]
Pages: 11
DOI: 10.2174/1574893611308040009
Price: $58