In Silico Analysis and ADMET Prediction of Flavonoid Compounds from Syzigium cumini var. album on α-Glucosidase Receptor for Searching Anti-Diabetic Drug Candidates

نویسندگان

چکیده

Background: One of the causes death is diabetes. Anti-diabetic drugs currently available do not work optimally because some have been reported to side effect and resistance. Objective: This study aimed flavonoid compounds from Syzygium cumini var. album with greatest anti-diabetic activity lower toxicity than acarbose. Materials Methods: research an in silico nine album, starting PASS online was used predict spectrum substances, drug-likeness prediction using DruLiTo, ADMET (absorption, distribution, metabolism, excretion, toxicity) pkCSM online. Molecular docking carried out by AutoDock 4.2.6 program on α-glucosidase targeting. Visualization done Discovery Studio Visualizer software. Results: From data obtained, D-(+)-Catechin has a high affinity for free energy binding (ΔG) -5.94 kcal/mol inhibition constant (Ki) 44270 nm. Conclusion: Based results study, it can be concluded that potential as promising drug candidate, where best candidate D- (+)-Catechin. However, further studies are needed.

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ژورنال

عنوان ژورنال: Pharmacognosy Journal

سال: 2023

ISSN: ['0975-3575']

DOI: https://doi.org/10.5530/pj.2022.14.161