Selectivity-based QSAR approach for screening and evaluation of TRH analogs for TRH-R1 and TRH-R2 receptors subtypes.
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.
Kadam
Rameshwar U
RU
Centre of Pharmacoinformatics, National Institute of Pharmaceutical Education and Research, Sector 67, S.A.S. Nagar 160062, Punjab, India.
Chavan
Archana G
AG
Monga
Vikramdeep
V
Kaur
Navneet
N
Jain
Rahul
R
Roy
Nilanjan
N
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*
D018025:Receptors, Thyrotropin-Releasing Hormone; D013973:Thyrotropin-Releasing Hormone