In silico and in vitro evaluation of vitexin, tiliroside and 5,7- dihydroxy-3,8,4’-trimethoxy flavonoids: FPS evaluation and prediction of anti cancer activity

Abstract

Natural products have been used to combat the increasing damaging effects of sun exposure with the addition of chemical formulas to natural compounds or substances to enhance the protective effect on the skin. Using in silico and in vitro analyzes, the present study evaluated the pharmacological effect on the treatment of skin cancer and the solar protection factor of three flavonoids: Hv-1 (Kaempferol-3-O-β-D- (6 ”-Ep-coumaril) glucopyranoside), Pg-1 (5,7-dihydroxy- 3,8,4'-trimethoxy) and Wv-1 (5,7,4'-trihydroxyflavone-8-C-β-glucopyranoside) as well as their respective natural compounds (crude ethanolic extracts - CEEs and dichloromethane/chloroform fractions - DF/CF) obtained by extraction processes from species of the Malvaceae family. The results of the in silico analysis demonstrated that Pg-1 has greater probability in the antineoplastic potential against sarcoma, carcinoma, melanoma and squamous cell cancer, while Hv-1 exhibited an antineoplastic effect against melanoma and squamous cells cancer. Wv-1 showed low antineoplastic activation against neoplasms of the integumentary system. The in vitro analysis revealed that the CEEsHv and DFHv compounds and the fractions (CFWv, DFHv and CFPg) displayed high solar protection factor (25.01_SPF). The analysis of the isolated substances showed that Wv-1 did not produce a significant protective effect on the UVB spectrum; however Hv-1 and Pg-1 presented similar effects with a high level of protection (25.01_SPF). The data indicate that the analyzed compounds could become therapeutic alternatives as phytotherapics, and the isolated molecules, promising candidates as phytopharmaceuticals with photoprotective effect and anticancer activity in the integumentary system.