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Bioactive Antidiabetic Flavonoids from the Stem Bark of Cordia dichotoma Forst.: Identification, Docking and ADMET Studies
| Content Provider | MDPI |
|---|---|
| Author | Hussain, Nazim Kakoti, Bibhuti Rudrapal, Mithun Sarwa, Khomendra Celik, Ismail Attah, Emmanuel Khairnar, Shubham Bhattacharya, Soumya Sahoo, Ranjan Walode, Sanjay |
| Copyright Year | 2021 |
| Description | 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-methoxyflavone-3-O-l-rhamnopyranoside and 5,7,3′-trihydroxy-4-methoxyflavone-7-O-l-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. |
| Starting Page | M1234 |
| e-ISSN | 14228599 |
| DOI | 10.3390/M1234 |
| Journal | Molbank |
| Issue Number | 2 |
| Volume Number | 2021 |
| Language | English |
| Publisher | MDPI |
| Publisher Date | 2021-06-11 |
| Access Restriction | Open |
| Subject Keyword | Molbank Integrative and Complementary Medicine C. Dichotoma Flavonoids Antidiabetic Α-glucosidase Α-amylase Docking Admet |
| Content Type | Text |
| Resource Type | Article |
