1st Day of Organic Chemistry and its Medicinal and Industrial Applications

3D-QSAR STUDY ON ANTIOXIDANT ACTIVITY OF CAFFEIC ACID DERIVATIVES

Non programmé

20m

Faculté des sciences (Setif1- University Ferhat ABBAS)

Study of natural substances and their pharmaceutical applications.

Orateur

Dr Abderahmane Belafriekh (Laboratory of LCPMM, Faculty of sciences, University of Blida1, P.O. Box 270 Blida, 09000, Algeria.)

Description

Caffeic acid (CA) derivatives are a class of natural compounds found in various sources; these compounds have been shown a huge range of biological activities, such as antioxidant, anti-inflammatory, and anti-diabetic properties. In this study, CA derivatives were collected from literature with antioxidant activity values to generate a 3D-QSAR model. The model was generated successfully with a high regression coefficient R²= 0.96 and a good cross-validated determination coefficient Q2cv= 0.53 for the training set. Furthermore, the model generated showed good predictive ability, with a high predictive value Q2= 0.76 for the test set. The generated 3D contour cubes were applied to find the structural properties important for the antioxidant activity.