Analysis of the anti-Alzheimer potential of bioactive compounds from Citrus hystrix DC. peel, leaf, and essential oil by network pharmacology.

Autor:	Putri AF; Faculty of Biology, Universitas Gadjah Mada, Jl. Teknika Selatan, Sekip Utara, Yogyakarta, 55281, Indonesia.; Bioinformatics Research Center, INBIO-Indonesia, Malang, 65162, Indonesia., Utomo DH; Bioinformatics Research Center, INBIO-Indonesia, Malang, 65162, Indonesia.; Biosystem Education Center, Brawijaya University, Malang, 65145, Indonesia., Tunjung WAS; Faculty of Biology, Universitas Gadjah Mada, Jl. Teknika Selatan, Sekip Utara, Yogyakarta, 55281, Indonesia., Putri WA; Faculty of Biology, Universitas Gadjah Mada, Jl. Teknika Selatan, Sekip Utara, Yogyakarta, 55281, Indonesia.
Jazyk:	angličtina
Zdroj:	Heliyon [Heliyon] 2024 Jun 26; Vol. 10 (13), pp. e33496. Date of Electronic Publication: 2024 Jun 26 (Print Publication: 2024).
DOI:	10.1016/j.heliyon.2024.e33496
Abstrakt:	Alzheimer's disease (AD) is the most known neurodegenerative disease, and its prevalence is predicted to increase significantly. Discovering novel drugs and treatments for AD is urgently needed. Drugs from natural products have been preferred lately due to their high potential and low toxicity. Citrus hystrix DC. (kaffir lime; KL) is one such herbal plant that is found abundantly in Southeast Asia with many biological activities. In this study, the potential of bioactive compounds from KL peel, leaf, and essential oil as anti-AD agents was explored using network pharmacology. First, the compounds were identified with KNApSAcK database and related literature. Subsequently, the targets of each corresponding compound were determined with SEA Search Server and Swiss Target Prediction, while the proteins associated with AD were identified using OMIM, GenCLiP3, and DisGeNET. Furthermore, a protein-protein interaction network and a compound-target interaction network were constructed to identify the most crucial proteins and compounds in the network by employing Cytoscape v3.9.1. The study continued with pathway enrichment analysis using STRING v1.7.1, molecular docking with PyRx and SwissDock, and molecular dynamics simulation with YASARA for further confirmation. Our results showed that almost all the secondary metabolites of KL targeted AD-associated genes, with oxypeucedanin and citrusoside A showing the highest anti-AD potential and targeting essential genes, EGFR and MAPK14, respectively. These targets were associated with inflammatory and oxidative stress pathways, indicating the potential mechanism of KL in attenuating AD clinical manifestation. Competing Interests: The authors, Adhisa Fathirisari Putri, Didik Huswo Utomo, Woro Anindito Sri Tunjung, and Wahyu Aristyaning Putri, declare no conflicts of interest associated with the research study titled "Analysis of the Anti-Alzheimer Potential of Bioactive Compounds from Citrus hystrix DC. Peel, Leaf, and Essential Oil by Network Pharmacology," submitted to Heliyon. (© 2024 The Authors.)
Databáze:	MEDLINE
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