title: Prediction of the deleterious nsSNPs in ABCB transporters.
abstract: The non-synonymous SNPs (nsSNPs) in coding regions, neutral or deleterious, could lead to the alteration of the function or structure of proteins. We have developed the computational models to analyze the deleterious nsSNPs in the transporters and predict ones in ABCB (ATP-binding cassette B) transporters of interest. The RPLS (ridge partial least square) and LDA (linear discriminant analysis) methods were applied to the problem, by training on a selection of datasets from a specified source, i.e., human transporters. The best combination of datasets and prediction attributes was ascertained. The prediction accuracy of the theoretical RPLS model for the training and testing sets is 84.8% and 80.4%, respectively (LDA: 84.3% and 80.4%), which indicates the models are reasonable and may be helpful for pharmacogenetics studies.
authors.affiliation: Laboratory of Pharmaceutical Resource Discovery, Dalian Institute of Chemical Physics, The Chinese Academy of Sciences, #457 Zhongshan Road, Dalian 116023, China.
authors.forename: Yanhong
authors.initials: Y
authors.lastname: Li
authors.forename: Yonghua
authors.initials: Y
authors.lastname: Wang
authors.forename: Yan
authors.initials: Y
authors.lastname: Li
authors.forename: Ling
authors.initials: L
authors.lastname: Yang
mesh_terms: D018528:ATP-Binding Cassette Transporters / Q000145:classification / Q000235:genetics* / Q000378:metabolism*; D000596:Amino Acids / Q000235:genetics / Q000378:metabolism; D019295:Computational Biology; D006801:Humans; D008954:Models, Biological; D020641:Polymorphism, Single Nucleotide / Q000235:genetics*
chemical_list: D018528:ATP-Binding Cassette Transporters; D000596:Amino Acids