Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

Bioactive Flavonoids from the Stem Bark of Cordia dichotoma Forst.: Identification, Docking and ADMET Studies

Version 1 : Received: 7 May 2021 / Approved: 10 May 2021 / Online: 10 May 2021 (11:02:24 CEST)

A peer-reviewed article of this Preprint also exists.

Hussain, N.; Kakoti, B.B.; Rudrapal, M.; Sarwa, K.K.; Celik, I.; Attah, E.I.; Khairnar, S.J.; Bhattacharya, S.; Sahoo, R.K.; Walode, S.G. Bioactive Antidiabetic Flavonoids from the Stem Bark of Cordia dichotoma Forst.: Identification, Docking and ADMET Studies. Molbank 2021, 2021, M1234. Hussain, N.; Kakoti, B.B.; Rudrapal, M.; Sarwa, K.K.; Celik, I.; Attah, E.I.; Khairnar, S.J.; Bhattacharya, S.; Sahoo, R.K.; Walode, S.G. Bioactive Antidiabetic Flavonoids from the Stem Bark of Cordia dichotoma Forst.: Identification, Docking and ADMET Studies. Molbank 2021, 2021, M1234.

Journal reference: Molbank 2021, 2021, M1234
DOI: 10.3390/M1234

Abstract

Cordia dichotoma 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 C. dichotoma (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-methoxyflavanone-3-O-L-rhamnopyranoside and 5,7,3’-trihydroxy-4-methoxyflavanone-7-O-L-rhamnopyranoside (quercitrin). Docking and ADMET studies revealed the promising binding affinity of flavonoid molecules for human lysosomal alpha-glucosidase and human pancreatic alpha-amylase with acceptable ADMET properties. Based on computational studies, our study reports the antidiabetic potential of the isolated flavonoids with predictive pharmacokinetics profile.

Keywords

C. dichotoma; Flavonoids; Antidiabetic; alpha-glucosidase, alpha-amylase, Docking; ADMET

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