Bioactive antidiabetic flavonoids from the stem bark of cordia dichotoma forst.: Identification, docking and ADMET studies

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Hussain N., Kakoti B. B., Rudrapal M., Sarwa K. K., ÇELİK İ., Attah E. I., ...Daha Fazla

MolBank, cilt.2021, sa.2, 2021 (ESCI) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 2021 Sayı: 2
  • Basım Tarihi: 2021
  • Doi Numarası: 10.3390/m1234
  • Dergi Adı: MolBank
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus, Academic Search Premier, Aerospace Database, Communication Abstracts, Metadex, Directory of Open Access Journals, Civil Engineering Abstracts
  • Anahtar Kelimeler: C. dichotoma, flavonoids, antidiabetic, alpha-glucosidase, alpha-amylase, docking, ADMET, HYDRO-ALCOHOLIC EXTRACT, ANTIOXIDANT ACTIVITY, INDIAN CHERRY, ALPHA-AMYLASE, PLANT, METABOLISM, LEAVES
  • Erciyes Üniversitesi Adresli: Evet

Özet

© 2021 by the authors. Licensee MDPI, Basel, Switzerland.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.