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Original Article

J App Pharm Sci. 2022; 12(1): 106-119

Potential protein antiglycation, antiproliferation, and in silico study on the antidiabetic enzymes of bioactive metabolites from Adonis microcarpa DC and their ADMET properties

Howaida Ibrahim Abd-Alla, Amal Zaki Hassan, Maha Mohamed Soltan, Ahmed Baker Abdelwahab, Atef Gobran Hanna.

Cited by 2 Articles

Adonis microcarpa DC has not been comprehensively studied for its phytochemical and biological properties. The phytochemical investigation of the above-ground parts led to the isolation of adonitol (1), lup-20(29)-en-3β-ol (2), 3β-3- hydroxyolean-12-en-28-oate (3), strophanthidin-3-O-β-D-glucopyranosyl-(1→4)-β-D-digitoxoside (4), strophanthidin3-O-β-glucopyranosyl-(1→4)-β-boiviopyranoside (5) and gluco-(1→6)-strophanthidin-3-O-β-glucopyranosyl-(1→4)- β-boiviopyranoside (6). Their structures were assigned based on extensive 1D- and 2D-nuclear magnetic resonance spectral analyses. All the compounds are isolated for the first time from this species. Compounds 2 and 3 revealed high potency as antiglycated agents. The docking study introduced α-amylase as a preferable candidate for inhibition compared to α-glucosidase, with a slight superiority of 3. Aldose reductase was inhibited by 2 in a noncompetitive manner, while 3 probably was inactive toward it. Molecular docking suggested the activity of 2 and 3 as the possible inhibitors of α-glucosidase and α-amylase, while aldose reductase is an additional target of 2 by an allosteric effect. In silico physicochemical properties, such as absorption, distribution, metabolism, excretion, and toxicity parameters, of compounds were also predicted. Compounds 1, 2, and 3 were favorable in an acceptable prediction. The antiproliferative potentials on six human cancer cell lines in addition to a normal human lung fibroblast (WI-38) were carried out. Cell viability was evaluated and both triterpenoids have not exerted any cytotoxicity on the tested normal cell line. Interestingly, compound 3 rather than 2 introduced a considerable antiproliferative effect against the tested colon cancer cell lines.

Key words: Adonis microcarpa DC, Chemical composition, Cytotoxicity, Antiproliferative effect; Type 2 diabetes inhibitors, Antiglycation, ADMET properties, Molecular docking

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