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

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

Document Type: Research Article

Publication date: 01 September 2013

More about this publication?
  • Current Bioinformatics aims to publish all the latest and outstanding developments in bioinformatics. Each issue contains a series of timely, in-depth reviews written by leaders in the field, covering a wide range of the integration of biology with computer and information science.

    The journal focuses on reviews on advances in computational molecular/structural biology, encompassing areas such as computing in biomedicine and genomics, computational proteomics and systems biology, and metabolic pathway engineering. Developments in these fields have direct implications on key issues related to health care, medicine, genetic disorders, development of agricultural products, renewable energy, environmental protection, etc.

    Current Bioinformatics is an essential journal for all academic and industrial researchers who want expert knowledge on all major advances in bioinformatics.
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