title: Review of QSAR for DNA polymerase inhibitors and new models for heterogeneous series of compounds.
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.
authors: Department of Organic Chemistry, University of Vigo, Vigo, Spain. iselapintos@yahoo.es
authors: Isela
authors: I
authors: García
authors: Yagamare
authors: Y
authors: Fall
authors: Generosa
authors: G
authors: Gómez
mesh_terms: D000814:Aniline Compounds / Q000737:chemistry / Q000494:pharmacology; D000818:Animals; D004259:DNA-Directed DNA Polymerase / Q000737:chemistry* / Q000378:metabolism; D006801:Humans; D019384:Nucleic Acid Synthesis Inhibitors; D021281:Quantitative Structure-Activity Relationship; D012294:Rifamycins / Q000737:chemistry / Q000494:pharmacology
chemical_list: D000814:Aniline Compounds; D019384:Nucleic Acid Synthesis Inhibitors; D012294:Rifamycins; D004259:DNA-Directed DNA Polymerase