Polyphenolic Profile of Aerial Parts: Antioxidant, Anticancer and In Silico 5-LOX Inhibitory Evaluations.

Five new compounds kaempferol 3--(4″-galloyl)--d-glucopyranosyl-(1‴→6″)--β-d-glucopyranoside (), kaempferol 3---d-mannuronopyranoside (), kaempferol 3---d-mannopyranoside (), quercetin 3---d-mannuronopyranoside (), 2, 3 (S)- hexahydroxydiphenoyl]-d-glucose () along with fifteen known compounds were isolated from 80% aqueous methanol extract (AME) of . AME and compounds exerted similar or better antioxidant activity to ascorbic acid using DPPH, O, and NO inhibition methods. In addition, compounds , , and showed cytotoxic activity against MCF-7 cell lines while , and exhibited strong activity against HepG2. An in silico analysis using molecular docking for polyphenolic compounds , , , and against human stable 5-LOX was performed and compared to that of ascorbic acid and quercetin. The binding mode as well as the enzyme-inhibitor interactions were evaluated. All compounds occupied the 5-LOX active site and showed binding affinity greater than ascorbic acid or quercetin. The data herein suggest that AME, a source of polyphenols, could be used against oxidative-stress-related disorders.