Exploring the anti-proliferative activity of Pelargonium sidoides DC with in silico target identification and network pharmacology

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dc.contributor.author Pereira, Andreia S.P.
dc.contributor.author Bester, Megan Jean
dc.contributor.author Apostolides, Zeno
dc.date.accessioned 2017-10-20T09:07:59Z
dc.date.issued 2017-11
dc.description.abstract Pelargonium sidoides DC (Geraniaceae) is a medicinal plant indigenous to Southern Africa that has been widely evaluated for its use in the treatment of upper respiratory tract infections. In recent studies, the anti-proliferative potential of P. sidoides was shown, and several phenolic compounds were identified as the bioactive compounds. Little, however, is known regarding their anti-proliferative protein targets. In this study, the anti-proliferative mechanisms of P. sidoides through in silico target identification and network pharmacology methodologies were evaluated. The protein targets of the 12 phenolic compounds were identified using the target identification server PharmMapper and the server for predicting Drug Repositioning and Adverse Reactions via the Chemical–Protein Interactome (DRAR-CPI). Protein–protein and protein–pathway interaction networks were subsequently constructed with Cytoscape 3.4.0 to evaluate potential mechanisms of action. A total of 142 potential human target proteins were identified with the in silico target identification servers, and 90 of these were found to be related to cancer. The protein interaction network was constructed from 86 proteins involved in 209 interactions with each other, and two protein clusters were observed. A pathway enrichment analysis identified over 80 Kyoto Encyclopedia of Genes and Genomes (KEGG) pathways enriched with the protein targets and included several pathways specifically related to cancer as well as various signaling pathways that have been found to be dysregulated in cancer. These results indicate that the anti-proliferative activity of P. sidoides may be multifactorial and arises from the collective regulation of several interconnected cell signaling pathways. en_ZA
dc.description.department Anatomy en_ZA
dc.description.department Biochemistry en_ZA
dc.description.embargo 2018-11-18
dc.description.librarian hj2017 en_ZA
dc.description.uri https://link.springer.com/journal/11030 en_ZA
dc.identifier.citation Pereira, A.S.P., Bester, M.J. & Apostolides, Z. Exploring the anti-proliferative activity of Pelargonium sidoides DC with in silico target identification and network pharmacology. Molecular Diversity (2017) 21: 809-820. https://doi.org/10.1007/s11030-017-9769-0. en_ZA
dc.identifier.issn 1381-1991 (print)
dc.identifier.issn 1573-501X (online)
dc.identifier.other 10.1007/s11030-017-9769-0
dc.identifier.uri http://hdl.handle.net/2263/62839
dc.language.iso en en_ZA
dc.publisher Springer en_ZA
dc.rights © 2017 Springer International Publishing AG. The original publication is available at : https://link.springer.com/journal/11030. en_ZA
dc.subject Anti-proliferative en_ZA
dc.subject Cytoscape en_ZA
dc.subject Kinase en_ZA
dc.subject Network pharmacology en_ZA
dc.subject Pelargonium sidoides en_ZA
dc.subject PharmMapper en_ZA
dc.subject Signaling pathways en_ZA
dc.subject Target identification en_ZA
dc.title Exploring the anti-proliferative activity of Pelargonium sidoides DC with in silico target identification and network pharmacology en_ZA
dc.type Postprint Article en_ZA


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