THIẾT KẾ, TỔNG HỢP, ĐÁNH GIÁ HOẠT TÍNH KHÁNG OXI HÓA VÀ DOCKING PHÂN TỬ CỦA HAI DẪN XUẤT DỊ CHALCONE KẾT HỢP VÀO GỐC SULFONAMIDE

Abstract

This study reported the synthesis of two chalcone-sulfonamide hybrids (firstly synthesized compounds) by Claisen-Schmidt condensation reaction. The resulted compounds were then tested by molecular docking analysis and in vitro evaluation of their antioxidant activity and toxicity. Two new compounds 5a and 5b displayed the antioxidant activity with an EC₅₀ value of 12,83-13,47 μg/mL, respectively. Molecular docking study indicated that these compounds exhibited affinity towards HER2 by showing low binding energies as well as interactions with the key amino acids in the binding site of the receptor. These results suggested that the synthesized chalcone-sulfonamide hybrids might have anticancer potential for further investigation