Medicinal Chemistry

Isolation, characterization, in silico ADMET prediction of novel Xanthone Glycoside derivative from Egyptian Mangifera Indica having promising antiaging activity

Abstract

Naglaa S. Ashmawy*, Heba Al nashar, Eman M El- Labbad

Mangifera indica (MI), has been an important medicinal herb for over 4000 years. This genus Mangifera comprises about 30 species of fruiting trees of family Anacardiaceae. Mangifera was widely used in traditional medicine for therapeutic purposes by several cultures. Various parts of Mangifera tree were utilised for the treatment of a variety of ailments. Mangifera indica leaves extract grown in Egypt was subjected to successive chromatography techniques resulted in isolation of a novel non-reported xanthone derivative (TM-1). The in-vitro ability of TM-1 to inhibit elastase and tyrosinase enzymes activities was assessed. The novel compound exhibited remarkable anti-elastase and anti-tyrosinase inhibitory effects with IC50 values of 1.064 µg/mL and 1.336 µg /mL respectively compared to the positive controls. In order to assess the drugability and formulation consideration of TM-1, in silico, ADMET prediction was conducted using the SwissADME server. This included Lipinski’s rule of five, such as lipophilicity, solubility, and Pharmacokinetic properties as GIT absorption, distribution, metabolism, and skin permeation. All the physicochemical properties of TM-1 are within desirable ranges except for high polarity which may be attributed to the presence of the sugar moiety.TM-1 showed promising predicted topological aqueous solubility and reasonably predicted skin penetration suggesting the suitability of TM-1 for topical formulation. This is coherent with the in-vitro Antiaging evaluation.