New α-glucosidase inhibitors and antioxidants in optimized Psychotria malayana Jack leaves extract identified by gC-MS-based metabolomics and in silico molecular docking.

Autor:	Syed Mohamad SNA; Pharmacognosy Research Group, Department of Pharmaceutical Chemistry, Kulliyyah of Pharmacy, International Islamic University Malaysia, Kuantan, Malaysia., Khatib A; Pharmacognosy Research Group, Department of Pharmaceutical Chemistry, Kulliyyah of Pharmacy, International Islamic University Malaysia, Kuantan, Malaysia.; Department of Animal Product Technology, Faculty of Animal Sciences, Universitas Brawijaya, Malang, Indonesia.; Faculty of Pharmacy, Airlangga University, Surabaya, Indonesia.; Pharmacy Program, Medical Faculty of Medicine, Universitas Diponegoro, Semarang, Indonesia., Mat So'ad SZ; Pharmacognosy Research Group, Department of Pharmaceutical Chemistry, Kulliyyah of Pharmacy, International Islamic University Malaysia, Kuantan, Malaysia., Ahmed QU; Pharmacognosy Research Group, Department of Pharmaceutical Chemistry, Kulliyyah of Pharmacy, International Islamic University Malaysia, Kuantan, Malaysia., Ibrahim Z; Pharmacognosy Research Group, Department of Pharmaceutical Chemistry, Kulliyyah of Pharmacy, International Islamic University Malaysia, Kuantan, Malaysia., Saiman MZ; Institute of Biological Sciences, Faculty of Science, Universiti Malaya, Kuala Lumpur, Malaysia., Hariyadi DM; Faculty of Pharmacy, Airlangga University, Surabaya, Indonesia., Susilo A; Department of Animal Product Technology, Faculty of Animal Sciences, Universitas Brawijaya, Malang, Indonesia., Samdani MS; College of Science, King Saud University, Riyadh, Saudi Arabia., Abbas SA; Faculty of Pharmacy, Quest International University, Ipoh, Malaysia., Kanakal MM; Faculty of Pharmacy, Quest International University, Ipoh, Malaysia., Khan A; Faculty of Pharmacy, Quest International University, Ipoh, Malaysia., Kashif M; Analytical Chemistry Section, Department of Chemistry, Aligarh Muslim University, Aligarh, India.
Jazyk:	angličtina
Zdroj:	Natural product research [Nat Prod Res] 2024 Dec 14, pp. 1-7. Date of Electronic Publication: 2024 Dec 14.
DOI:	10.1080/14786419.2024.2440789
Abstrakt:	Our earlier research demonstrated α-glucosidase inhibitory (AGI) and antioxidant activities of the optimised extract of Psychotria malayana leaves. It was reported having numerous compounds, although it was unclear which compounds exhibit the bioactivities as well as their binding interaction to the enzyme. This study aimed to identify the compounds possessing AGI and antioxidant activities in the extract utilising GC-MS-based metabolomics, and to analyse the ligand-enzyme binding interactions via in-silico molecular docking. A partial least square was employed to correlate the metabolite profile and bioactivities. The loading plot reveals the bioactive compounds in this extract. The AGI activity of 1-cyclohexene-1-carboxylic, propanoic, butanedioic and D-gluconic acid together with the antioxidant activity of some compounds were reported for the first time through this study. The docking study reveals that all compounds, except for 1-cyclohexene-1-carboxylic acid, exhibit binding to the enzyme's catalytic site. This discovery demonstrates the potential of this plant for diabetes therapy.
Databáze:	MEDLINE
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