Computational pharmacology and bioinformatics to explore the potential mechanism of Schisandra against atherosclerosis
Document Type
Article
Publication Date
4-1-2021
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.
Keywords
Network pharmacology, Schisandra, Atherosclerosis, Non-muscle myosin IIA, Gene ontology
Divisions
oncology
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]
Publication Title
Food and Chemical Toxicology
Volume
150
Publisher
Pergamon-Elsevier Science Ltd
Publisher Location
THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND