title: Selectivity-based QSAR approach for screening and evaluation of TRH analogs for TRH-R1 and TRH-R2 receptors subtypes.
abstract: Design and development of therapeutically useful CNS selective thyrotropin-releasing hormone (TRH) analogs acting on TRH-R2 receptor subtype, exerting weak or no TRH-R1-mediated TSH-releasing side effects has gained imagination of researchers in the recent past. The present study reports the development and implementation of a selectivity-based QSAR approach for screening selective agonists of TRH-R2 receptor subtype. The statistically significant predictive models were thoroughly validated using an external validation set whose activity was previously unknown. The model was able to predict preference for either of the receptor subtypes successfully.
authors.affiliation: Centre of Pharmacoinformatics, National Institute of Pharmaceutical Education and Research, Sector 67, S.A.S. Nagar 160062, Punjab, India.
authors.forename: Rameshwar U
authors.initials: RU
authors.lastname: Kadam
authors.forename: Archana G
authors.initials: AG
authors.lastname: Chavan
authors.forename: Vikramdeep
authors.initials: V
authors.lastname: Monga
authors.forename: Navneet
authors.initials: N
authors.lastname: Kaur
authors.forename: Rahul
authors.initials: R
authors.lastname: Jain
authors.forename: Nilanjan
authors.initials: N
authors.lastname: Roy
mesh_terms: D015195:Drug Design; D004341:Drug Evaluation; D008958:Models, Molecular; D021281:Quantitative Structure-Activity Relationship; D018025:Receptors, Thyrotropin-Releasing Hormone / Q000819:agonists* / Q000737:chemistry; D015203:Reproducibility of Results; D013973:Thyrotropin-Releasing Hormone / Q000031:analogs & derivatives*
chemical_list: D018025:Receptors, Thyrotropin-Releasing Hormone; D013973:Thyrotropin-Releasing Hormone