Duan, Hong and Khan, Ghulam Jilany and Shang, Li-jun and Peng, Hui and Hu, Wan-chen and Zhang, Jing-yu and Hua, Jing and Cassandra, Analisa and Rashed, Marwan M. A. and Zhai, Ke-feng (2021) Computational pharmacology and bioinformatics to explore the potential mechanism of Schisandra against atherosclerosis. Food and Chemical Toxicology, 150. ISSN 0278-6915, DOI https://doi.org/10.1016/j.fct.2021.112058.
Full text not available from this repository.Abstract
The present study uses network pharmacology to study the potential mechanism of Schisandra against atherosclerosis. Drug-disease targets were explored through the traditional Chinese medicine systemic pharmacology network. STRING database and Cytoscape software were employed to construct a component/pathway-target interaction network to screen the key regulatory factors from Schisandra. For cellular, biological and molecular pathways, Gene Ontology (GO) and KEGG pathway analyses were used while the interceptive acquaintances of the pathways was obtained through Metascape database. Initial molecular docking analyses of components from Schisandra pointed the possible interaction of non-muscle myosin IIA (NM IIA) against atherosclerosis. The screening results from GO and KEGG identified 525 possible targets of 18 active ingredients from Schisandra that further pointed 1451 possible pathways against the pathogenesis of disease whereas 167 targets were further refined based on common/interesting signaling target pathways. Further results of molecular signaling by docking identified very compatible binding between NM IIA and the constituents of Schisandra. Schisandra has a possible target of the serotonergic synapse, neuroactive ligand-receptor interaction and also has close interference in tumor pathways through PTGS2, NOS3, HMOX1 and ESR1. Moreover, it is also concluded that Schisandra has a close association with neuroendocrine, immune-inflammation and oxidative stress. Therefore, it may have the potential of therapeutic utility against atherosclerosis.
| Item Type: | Article |
|---|---|
| Funders: | Anhui Provincial Science Fund for Distinguished Young Scholars [2008085J39], Focus on Research and Development Projects in Anhui Province [1804a0802225 ], State Key Laboratory for Chemistry and Molecular Engineering of Medicinal Resources (Guangxi Normal University) [CMEMR2020-B13], Natural Science Foundation of Anhui Province [KJ2018ZD044], Natural Science Foundation of Anhui Educational Committee [KJ2020A0728], Natural Science Foundation of Anhui Educational Committee Key Disciplines of Pharmacy [2019xjzdxk2], Back-up Candidates for Academic and Technical Leaders of Suzhou University [2018XJHB06], Key Research Project of Suzhou University [2019yzd06], Student Innovation Training Program [S202010379057] [S202010379072] |
| Uncontrolled Keywords: | Network pharmacology; Schisandra; Atherosclerosis; Non-muscle myosin IIA; Gene ontology |
| Subjects: | R Medicine > RA Public aspects of medicine > RA0421 Public health. Hygiene. Preventive Medicine R Medicine > RA Public aspects of medicine > RA1001 Forensic Medicine. Medical jurisprudence. Legal medicine |
| Divisions: | Faculty of Medicine > Clinical Oncology Department |
| Depositing User: | Ms Zaharah Ramly |
| Date Deposited: | 09 Jun 2022 06:47 |
| Last Modified: | 09 Jun 2022 06:47 |
| URI: | http://eprints.um.edu.my/id/eprint/34340 |
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