Viswanathan, Sittarthan and Sivaraj, Rengaraj and Vasanthi, A. Hannah Rachel and Subramanian, Kavimani and Ramesh, Vimalavathini (2024) An in-silico approach - molecular docking analysis of flavonoids against GSK-3β and TNF-α targets in Alzheimer's disease. JOURNAL OF RECEPTORS AND SIGNAL TRANSDUCTION, 44.0 (3). pp. 73-81. ISSN 1079-9893
Full text not available from this repository.Abstract
Introduction: Drug development for Alzheimer's disease has one of the greatest failure rates of any therapeutic field and AD is still incurable. Glycogen synthase kinase-3 beta is a critical enzyme implicated in the pathogenesis of AD, particularly in the hyperphosphorylation of tau protein, which leads to the formation of neurofibrillary tangles. TNF-alpha also plays a significant role in the pathogenesis of Alzheimer's disease by promoting neuroinflammation, contributing to the formation of amyloid plaques and neurofibrillary tangles, impairing synaptic function, and disrupting the balance of neurotrophic factors. Phytomedicine has numerous advantages over synthetic medications, acting multiple mode of action, including being less toxic and having fewer adverse effects. Flavonoids act as a promising therapeutic target for treating Alzheimer's disease. The present work investigates the anti-AD potentials of 35 flavonoids for the inhibition of GSK-3 beta and TNF-alpha. Methods: The physicochemical, pharmacokinetic parameters, toxicity profile and drug-likeliness of the selected 35 flavonoids were predicted using SwissADME & OSIRIS data Warrier property explorer web tool. All flavonoids were selected for docking studies on GSK-3 beta and TNF-alpha protein using Autodock 4.2.1. Results: The predictions of this study suggested that among the selected 35 flavonoids, Top 3 flavonoids, such as Epicatechin gallate -10.93 kcal/mol, Fisetin -9.44 kcal/mol and Eriodictyol -8.54 kcal/mol for GSK-3 beta targets. TNF-alpha Fisetin -11.52 kcal/mol, Sterubin -10.87 kcal/mol, Biochainin A -10.69 kcal/mol were compared with standard drug donepezil. Conclusion: Therefore, these flavonoids could be utilized as possible leads for the structure-based design in the advancement of new, strong Anti-Alzheimer's agents. However, more invitro and invivo analyses are required to finally confirm the outcomes of this research. [GRAPHICS] .
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | Alzheimer's, flavonoids, GSK-3 beta, TNF-alpha, drug-likeness |
| Subjects: | Biochemistry, Genetics and Molecular Biology > Cell Biology Chemistry > Biochemistry & Molecular Biology |
| Divisions: | Engineering and Technology > Aarupadai Veedu Institute of Technology, Chennai, India > Medical Biotechnology Medicine > Aarupadai Veedu Medical College and Hospital, Puducherry, India > Medical Biotechnology Medicine > Aarupadai Veedu Medical College and Hospital, Puducherry, India > Biotechnology Interdisciplinary Studies > Department of Medical Biotechnology, AVMC, Puducherry > Medical Biotechnology |
| Depositing User: | Unnamed user with email techsupport@mosys.org |
| Last Modified: | 06 Feb 2026 07:00 |
| URI: | https://ir.vmrfdu.edu.in/id/eprint/6640 |
Dimensions
Dimensions