DOCKING, ANTI-BREAST CANCER AND ANTIOXIDANT STUDY OF SOME NEW SULFISOXAZOLE BASED ON CARBOHYDRATE

Abstract

New amide 1 synthesized by reaction sulfisoxazole with acetic anhydride, is reacted with different aldehydes (p-N,N-dimethylaminobenzaldehyde and thiophen-2-carboxaldehyde to yield new chalcone 4 and 5 derivatives. Glucosepentaacetate was reacted using two different method to prepare compound 2A and 2B. New triazoline derivatives 6 and 7 were obtained in good yield using [3+2] strategy reaction of compound 2 with different chalcones (4,5), and study of the antioxidant activities (inhibition) for compounds 4-7 by using DPPH assay showed all selected compounds have antioxidants activity. Compound 7 is very active with an antioxidant inhibition of 82.037. Docking of compound 6 showed very good interaction with receptors THR 347 (C) and LEU 346 (C), LYS 346 (C) with S = -11.10 and rmsd =1.683 and compound 7 LYS 416 (A) with S = -10.60, rmsd = 1.687 in breast cancer (protein 6WOK).