Molecular docking and three-dimensional quantitative structure-activity relationship studies on 5-HT6 receptor inhibitors and design of new compounds
Molecular docking and three-dimensional quantitative structure-activity relationship studies on 5-HT6 receptor inhibitors and design of new compounds

Eslam Pourbasheer; Reza Aalizadeh; Mohammad Reza Ganjali

Volume 5, Issue 2 , February 2023, , Pages 154-172

Abstract
  CoMFA and CoMSIA methods were used to perform 3D quantitative structure-activity relationship (3D-QSAR) evaluation and molecular docking, of 5-HT6 receptor inhibitors. The CoMFA model ...  Read More
A comparative QSAR study of aryl-substituted isobenzofuran-1(3H)-ones inhibitors
A comparative QSAR study of aryl-substituted isobenzofuran-1(3H)-ones inhibitors

Zahra Rostami; Eslam Pourbasheer

Volume 1, Issue 1 , January and February 2019, , Pages 41-54

Abstract
  A comparative workflow, including linear and non-linear QSAR models, was carried out to evaluate the predictive accuracy of models and predict the inhibition activity of a series of ...  Read More