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Review of QSAR for DNA polymerase inhibitors and new models for heterogeneous series of compounds. | LitMetric

Review of QSAR for DNA polymerase inhibitors and new models for heterogeneous series of compounds.

Curr Comput Aided Drug Des

Department of Organic Chemistry, University of Vigo, Vigo, Spain.

Published: December 2011

AI Article Synopsis

Article 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.

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Source
http://dx.doi.org/10.2174/157340911798260331DOI Listing

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