3rd International Conference on Chemo and BioInformatics, Kragujevac, September 25-26. 2025. (pp. 300-304)
AUTOR(I) / AUTHOR(S): Mohamed Mohany, Marija Milošević
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DOI: 10.46793/ICCBIKG25.300M
SAŽETAK / ABSTRACT:
This study investigates the multi-target therapeutic potential of Resveratrol against Alzheimer’s disease (AD) through an integrative network pharmacology and computational framework. Predicted targets of Resveratrol were identified using multiple databases and cross- referenced with Alzheimer’s-associated genes, yielding 11 overlapping targets implicated in apoptosis regulation, mitochondrial function, and neuronal survival. Core proteins, including TP53, BCL2, BAX, and BDNF, formed a tightly connected protein–protein interaction network enriched in apoptotic and neuroinflammatory pathways. Molecular docking revealed strong binding affinities of Resveratrol with key targets, such as 1B8M, BCL2, and TP53, which were further validated by 100-nanosecond molecular dynamics simulations. Key structural metrics, such as RMSD, RMSF, Rg, and SASA, indicated stable protein–ligand complexes with significant hydrogen bonding, particularly in the BCL2 and TP53 systems. Collectively, the findings demonstrate Resveratrol’s potential as a multitarget neuroprotective agent in Alzheimer’s disease, offering a mechanistic rationale for its repositioning in neurodegenerative therapeutics.
KLJUČNE REČI / KEYWORDS:
resveratrol, Alzheimer’s disease, molecular docking, neuroprotection
PROJEKAT / ACKNOWLEDGEMENT:
LITERATURA / REFERENCES:
- Lane CA, Hardy J, Schott JM. Alzheimer’s disease. Eur J Neurol. 2018 Jan;25(1):59–70. [2] Bilal M, Iqbal MS, Shah SB, Rasheed T, Iqbal HMN. Diabetic Complications and Insight into Antidiabetic Potentialities of Ethno-Medicinal Plants: A Review. Recent Pat Inflamm Allergy Drug Discov. 2018 Aug 21;12(1):7–23.
- Sawda C, Moussa C, Turner RS. Resveratrol for Alzheimer’s disease. Ann N Y Acad Sci. 2017 Sep;1403(1):142–9.
- Szklarczyk D, Santos A, von Mering C, Jensen LJ, Bork P, Kuhn M. STITCH 5: augmenting protein–chemical interaction networks with tissue and affinity data. Nucleic Acids Res. 2016 Jan 4;44(D1):D380–4.
- Shannon P, Markiel A, Ozier O, Baliga NS, Wang JT, Ramage D, et al. Cytoscape: A Software Environment for Integrated Models of Biomolecular Interaction Networks. Genome Res. 2003 Nov;13(11):2498–504.
- Trott O, Olson AJ. AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. J Comput Chem. 2009;NA-NA
- Dun ZN. Specific shRNA targeting of FAK influenced collagen metabolism in rat hepatic stellate cells. World J Gastroenterol. 2010;16(32):4100.