Integration of in silico, in vitro and ex vivo pharmacology to decode the anti-diabetic action of Ficus benghalensis L.
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RESEARCH ARTICLE
Integration of in silico, in vitro and ex vivo pharmacology to decode the anti-diabetic action of Ficus benghalensis L. bark Pukar Khanal 1
&
B. M. Patil 1
Received: 5 June 2020 / Accepted: 30 September 2020 # Springer Nature Switzerland AG 2020
Abstract Background Traditionally, Ficus benghalensis L. is used to treat metabolic disorders and is also recorded in the Ayurvedic pharmacopeia of India. The present study aimed to evaluate the anti-diabetic property of hydroalcoholic extract/fraction(s) of F. benghalensis L. bark via in silico, in vitro, and ex vivo approach. Methods Enzyme inhibitory activity, glucose uptake in rat hemidiaphragm, and glucose permeability, and adsorption assays were performed using in vitro and ex vivo methods as applicable. Further, the PASS was used to identify the probable lead enzyme inhibitors. The presence of predicted enzyme inhibitors was confirmed via the LC-MS. Similarly, the docking of ligands with respective targets was performed using autodock4.0. Results Flavonoids rich fraction possessed the highest α-amylase, and α-glucosidase inhibitory activity followed by maximum efficacy for glucose uptake in rat hemidiaphragm. Similarly, the hydroalcoholic extract showed the highest efficacy to inhibit glucose diffusion. Likewise, 3,4-dihydroxybenzoic acid was predicted for the highest pharmacological activity for α-amylase, ursolic acid for PTP1B, and apigenin for α-glucosidase inhibition respectively. The LC-MS analysis also identified the presence of the above hit molecules in the hydroalcoholic extract. Conclusion The analogs of 3,4-dihydroxybenzoic acid, apigenin, and ursolic acid could be the choice of lead hits as the αamylase, α-glucosidase, and PTP1B inhibitors respectively. Additionally, the majority of secondary metabolites from the hydroalcoholic extract of F. benghalensis may be involved in enhancing the glucose uptake to support the process of glycogenesis. Keywords Apigenin . Diabetes mellitus . Ficus benghalensis . Postprandial hyperglycemia
Abbreviations AUC DNS EC50 GLUT
area under the curves Dinitrosalicylic acid Effective concentration 50 Glucose transporter
Electronic supplementary material The online version of this article (https://doi.org/10.1007/s40200-020-00651-9) contains supplementary material, which is available to authorized users. * Pukar Khanal [email protected] * B. M. Patil [email protected]; [email protected] 1
Department of Pharmacology and Toxicology, KLE College of Pharmacy Belagavi, KLE Academy of Higher Education and Research (KAHER), Belagavi 590010, India
IAEC ICMR-NITM LC-MS MF MW Pa PASS Pi p-NPG PTP1B RCSB SMILES WHO
Institutional Animal Ethics committee Indian Council of Medical Research National Institute of Traditional Medicine Liquid chromatography-mass spectrometry Molecular formula Molecular weight Pharmacological activity Prediction of Activity Spectra for Substances Pharmacological inactivity 4-Nitrophenyl-β-D- glucopyranoside Protein Tyrosine Phosphatase 1B Research Collaboratory for Struc
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