Proteochemometrics modeling of the interaction of amine G-protein coupled receptors with a diverse set of ligands. Export

@article{citeulike:118749, abstract = {We have evaluated the proteochemometrics approach in the analysis of the interactions of a diverse set or organic ligands with subtypes of serotonin, dopamine, histamine, and adrenergic receptors. As used herein, proteochemometrics exploits affinity data for series of organic amines binding to wild-type amine G protein-coupled receptors, correlating it to descriptions and cross-description derived from the primary amino acid sequences of the receptors and the computed structures of the organic compounds. We show that after appropriate data preprocessing, statistically valid models that have good external predictive ability can be created. Evaluation of the models gave important quantitative insight into the mode of interactions of the amine G protein-coupled receptors with their ligands.}, address = {Department of Pharmaceutical Biosciences, Uppsala University, Uppsala, Sweden.}, author = {Lapinsh, Maris and Prusis, Peteris and Lundstedt, Torbj\"{o}rn and Wikberg, Jarl E.}, citeulike-article-id = {118749}, citeulike-linkout-0 = {http://view.ncbi.nlm.nih.gov/pubmed/12021408}, citeulike-linkout-1 = {http://www.hubmed.org/display.cgi?uids=12021408}, issn = {0026-895X}, journal = {Molecular pharmacology}, keywords = {mc1r, structure}, month = {June}, number = {6}, pages = {1465--1475}, posted-at = {2006-05-05 17:31:03}, priority = {2}, title = {Proteochemometrics modeling of the interaction of amine G-protein coupled receptors with a diverse set of ligands.}, url = {http://view.ncbi.nlm.nih.gov/pubmed/12021408}, volume = {61}, year = {2002} }

TY - JOUR ID - citeulike:118749 L3 - citeulike-article-id:118749 N2 - We have evaluated the proteochemometrics approach in the analysis of the interactions of a diverse set or organic ligands with subtypes of serotonin, dopamine, histamine, and adrenergic receptors. As used herein, proteochemometrics exploits affinity data for series of organic amines binding to wild-type amine G protein-coupled receptors, correlating it to descriptions and cross-description derived from the primary amino acid sequences of the receptors and the computed structures of the organic compounds. We show that after appropriate data preprocessing, statistically valid models that have good external predictive ability can be created. Evaluation of the models gave important quantitative insight into the mode of interactions of the amine G protein-coupled receptors with their ligands. IS - 6 JF - Molecular pharmacology SN - 0026-895X AD - Department of Pharmaceutical Biosciences, Uppsala University, Uppsala, Sweden. EP - 1475 TI - Proteochemometrics modeling of the interaction of amine G-protein coupled receptors with a diverse set of ligands. VL - 61 SP - 1465 KW - mc1r KW - structure AU - Lapinsh, Maris AU - Prusis, Peteris AU - Lundstedt, Torbjörn AU - Wikberg, Jarl PY - 2002/06// UR - http://view.ncbi.nlm.nih.gov/pubmed/12021408 ER -