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Flavonoids from Zingiber roseum rhizome modulate potential diabetic targets: Computational approach

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Title Flavonoids from Zingiber roseum rhizome modulate potential diabetic targets: Computational approach
 
Creator Amanat, Muhammed
Rahman, Md. Sorforajur
Singh, Randhir
 
Subject Anti-diabetic
Diabetes
PyRx
Quercetin
Rosmarinic acid
Zingiber roseum
 
Description 364-380
Despite the availability of several antidiabetic drugs, it is still an uphill task for the medical fraternity to find an
appropriate treatment to control diabetes without developing any adverse effects. Consequently, there is a growing need for
safer, natural anti-diabetic medications. Traditionally, herbal remedies have been heavily relied on for diabetic care due to
their rich reservoir of phyto-ingredients, especially flavonoids. Nevertheless, the complexity of herbal extracts poses a
significant scientific challenge in isolating the precise therapeutic molecules accountable for their anti-diabetic properties.
To address this matter, our study employed a computational approach to investigate the interaction of flavonoids extracted
from Zingiber roseum rhizome (ZRR) with key targets implicated in diabetes, including α-amylase, α-glucosidase, pparγ,
adiponectin, and glycogen synthase kinase-3β. The molecular docking simulations were performed using AutoDockPyRx,
and the binding energies were calculated. Encouragingly, our findings revealed that the flavonoids rosmarinic acid and
quercetin from ZRR showed highly favourable binding affinities with the selected targets, underscoring their potential as
natural agents for combating diabetes. The primary objective of this computational investigation is to unveil novel
flavonoids obtained from ZRR in the context of diabetes, shedding light on unexplored molecular pathways and potential
therapeutic avenues.
 
Date 2024-09-26T11:16:27Z
2024-09-26T11:16:27Z
2024-09
 
Type Article
 
Identifier 0976-0512 (Online); 0976-0504 (Print)
http://nopr.niscpr.res.in/handle/123456789/64621
https://doi.org/10.56042/ijnpr.v15i3.4938
 
Language en
 
Relation Int. cl. (2021.01)− A61K 36/00, A61K 36/906, A61K 125/00, A61P 3/10
 
Publisher NIScPR-CSIR,India
 
Source IJNPR Vol.15(3) [September 2024]