Density functional theory and molecular dynamics simulation-based bioprospection of Agathosma betulina essential oil metabolites against protein tyrosine phosphatase 1B for interventive antidiabetic therapy

Density functional theory and molecular dynamics simulation-based bioprospection of Agathosma betulina essential oil metabolites against protein tyrosine phosphatase 1B for interventive antidiabetic therapy

Type II diabetes mellitus (T2DM) is characterized by elevated blood glucose due to impaired insulin secretion/sensitivity. While conventional antihyperglycemic medications like biguanides, sulfonylureas, and other agents are commonly used, their long-term use can have side effects, prompting researc...

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Bibliographic Details
Main Authors: Oluwaseye Adedirin, Rukayat A. Abdulsalam, Khadeejah O. Nasir-Naeem, Ayenitaju A. Oke, Akolade O. Jubril, Saheed Sabiu
Format: Article
Language:English
Published: Elsevier 2025-02-01
Series:Heliyon
Subjects:
Diabetes
Buchu
Essential oil
PTP1B
Computational screening
Online Access:http://www.sciencedirect.com/science/article/pii/S240584402500619X
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