Bioactive Antidiabetic Flavonoids from the Stem Bark of <i>Cordia dichotoma</i> Forst.: Identification, Docking and ADMET Studies

• Main Authors: Nazim Hussain, Bibhuti Bhushan Kakoti, Mithun Rudrapal, Khomendra Kumar Sarwa, Ismail Celik, Emmanuel Ifeanyi Attah, Shubham Jagadish Khairnar, Soumya Bhattacharya, Ranjan Kumar Sahoo, Sanjay G. Walode
• Format: Article
• Language: English
• Published: MDPI AG 2021-06-01
• Series: Molbank
• Subjects: <i>C. dichotoma</i>; flavonoids; antidiabetic; α-glucosidase; α-amylase; docking
• Online Access: https://www.mdpi.com/1422-8599/2021/2/M1234

<i>Cordia dichotoma</i> Forst. (F. Boraginaceae) has been traditionally used for the management of a variety of human ailments. In our earlier work, the antidiabetic activity of methanolic bark extract of <i>C. dichotoma</i> (MECD) has been reported. In this paper, two flavonoid molecules were isolated (by column chromatography) and identified (by IR, NMR and mass spectroscopy/spectrometry) from the MECD with an aim to investigate their antidiabetic effectiveness. Molecular docking and ADMET studies were carried out using AutoDock Vina software and Swiss ADME online tool, respectively. The isolated flavonoids were identified as 3,5,7,3′,4′-tetrahydroxy-4-methoxyflavone-3-<i>O</i>-<span style="font-variant: small-caps;">l</span>-rhamnopyranoside and 5,7,3′-trihydroxy-4-methoxyflavone-7-<i>O</i>-<span style="font-variant: small-caps;">l</span>-rhamnopyranoside (quercitrin). Docking and ADMET studies revealed the promising binding affinity of flavonoid molecules for human lysosomal α-glucosidase and human pancreatic α-amylase with acceptable ADMET properties. Based on computational studies, our study reports the antidiabetic potential of the isolated flavonoids with predictive pharmacokinetics profile.