An Integrated Metabolomics Study on Antidiabetic Activity of Christia vespertilionis Leaves Extract Using Chemometric and Molecular Docking Analysis.

Autor: Selvarajoo PD; School of Chemical Sciences, Universiti Sains Malaysia, Penang, Malaysia.; Faculty of Pharmacy and Health Sciences, Royal College of Medicine Perak, Universiti Kuala Lumpur, 30450, Ipoh, Perak, Malaysia., Khatib A; Department of Pharmaceutical Chemistry, Kulliyyah of Pharmacy, International Islamic University Malaysia, 25200, Kuantan, Pahang Darul Makmur, Malaysia., Razali MR; School of Chemical Sciences, Universiti Sains Malaysia, Penang, Malaysia., Mediani A; Institute of Systems Biology (INBIOSIS), Universiti Kebangsaan Malaysia, UKM Bangi, 43600, Bangi, Malaysia., Murugesu S; Faculty of Pharmacy and Health Sciences, Royal College of Medicine Perak, Universiti Kuala Lumpur, 30450, Ipoh, Perak, Malaysia., Perumal V; Faculty of Pharmacy and Health Sciences, Royal College of Medicine Perak, Universiti Kuala Lumpur, 30450, Ipoh, Perak, Malaysia. vikneswari@unikl.edu.my.
Jazyk: angličtina
Zdroj: Applied biochemistry and biotechnology [Appl Biochem Biotechnol] 2024 Aug 01. Date of Electronic Publication: 2024 Aug 01.
DOI: 10.1007/s12010-024-04998-0
Abstrakt: In disease treatment, the utilisation of medicinal plants has witnessed a discernible rise, driven by concerns over the adverse effects associated with synthetic drugs available in the market. Analyses of the plant Christia vespertilionis (L.f.) Bakh. F., indigenous to Malaysia, has suggested its antidiabetic property linked to α-glucosidase inhibition, but metabolites responsible for antidiabetic are unexplored. The metabolomics approaches and molecular docking simulations were integrated to identify the putative α-glucosidase inhibitors and their enzyme interaction. In this study, the crude leaves extracted from this plant were extracted using solvents of varying polarity, followed by gas and liquid chromatography coupled with mass spectrometry metabolomics. The highest inhibition activity in a mixture of n-hexane and ethyl acetate (1:1, v/v)) was observed. Six putative metabolites corresponding to antidiabetic activity were identified: palmitic acid (2), linolenic acid (4), 7-tetradecenal (5), aloeemodin-8-monoglucoside (14), bruceine I (15), and sanjidin B (16). The mechanism of action of all the identified compounds is competitive, mainly involving hydrophobic and hydrogen bonding interactions with the protein residues. Compounds 14, 15, and 16 exhibited strong binding capabilities with both enzyme crystal structures compared to the positive control, quercetin. The metabolites extracted from C. vespertilionis leaves have demonstrated promising antidiabetic effects. These antidiabetic compounds can potentially commercialise new drug candidates in managing diabetes conditions.
(© 2024. The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature.)
Databáze: MEDLINE
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