QSAR studies of 1,2,5-thiadiazole derivatives analogues of aceclidine as potent M1 muscarinic agonists
Résumé
In the present study, Quantitative structure-activity relationship (QSAR) study have been performed on twenty molecules of 1,2,5-thiadiazole derivatives. The compounds studied are the analogues of aceclidine as potent M1 muscarinic agonists. A multiple linear regression (MLR) procedure was used to design the relationships between molecular descriptors and biological activity of the 1,2,5- thiadiazole derivatives. The predictivity of the model was estimated by cross-validation with the leave-one-outmethod. Our results suggest a QSAR model based on the following descriptors Log P , HE, Pol, MR, MV, and MW, SAG, and Etotal. High correlation between experimental and predicted activity values was observed, indicating the validation and the good quality of the established QSAR models. © 2018 American Scientific Publishers.