数量结构-活动关系
DNA聚合酶
聚合酶
计算生物学
蛋白质数据库
DNA
对接(动物)
化学
生物
生物化学
化学
生物信息学
药物发现
医学
护理部
出处
期刊:Current Bioinformatics
[Bentham Science]
日期:2013-08-01
卷期号:8 (4): 472-482
标识
DOI:10.2174/1574893611308040009
摘要
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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