Potential Anti-Cancer Flavonoids Isolated From Caesalpinia bonduc Young Twigs and Leaves: Molecular Docking and In Silico Studies

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dc.contributor.authorOgunlana Oluseyi Ebenezer
dc.contributor.authorOgunlana Olubanke Olujoke
dc.contributor.authorIheagwam Franklyn Nonso
dc.contributor.authorIsewon Itunuoluwa
dc.contributor.authorOyelade Jelili
dc.date.accessioned2025-06-26T10:31:05Z
dc.date.available2025-06-26T10:31:05Z
dc.date.issued2019
dc.description.abstractTyrosine kinase (TK), vascular endothelial growth factor (VEGF), and matrix metalloproteinases (MMP) are important cancer therapeutic target proteins. Based on reported anti-cancer and cytotoxic activities of Caesalpinia bonduc, this study isolated phytochemicals from young twigs and leaves of C bonduc and identified the interaction between them and cancer target proteins (TK, VEGF, and MMP) in silico. AutoDock Vina, iGEMDOCK, and analysis of pharmacokinetic and pharmacodynamic properties of the isolated bioactives as therapeutic molecules were performed. Seven phytochemicals (7-hydroxy-4′-methoxy-3,11 dehydrohomoisoflavanone, 4,4′-dihydroxy-2’-methoxychalcone, 7,4′-dihydroxy-3,11-dehydrohomoisoflavanone, luteolin, quercetin-3-methyl, kaempferol-3-O-β d-xylopyranoside and kaempferol- 3-O-α-l-rhamnopyranosyl-(1 → 2)-β-D-xylopyranoside) were isolated. Molecular docking analysis showed that the phytochemicals displayed strong interactions with the proteins compared with their respective drug inhibitors. Pharmacokinetic and pharmacodynamic properties of the compounds were promising suggesting that they can be developed as putative lead compounds for developing new anti-cancer drugs.
dc.identifier.citationOgunlana, O. E. et al. (2019). Potential Anti-Cancer Flavonoids Isolated From Caesalpinia bonduc Young Twigs and Leaves: Molecular Docking and In Silico Studies. Bioinformatics and Biology Insights. 13; 1-16.
dc.identifier.urihttps://repository.crawforduniversity.edu.ng/handle/123456789/330
dc.language.isoen
dc.publisherBioinformatics and Biology Insights
dc.relation.ispartofseries13
dc.titlePotential Anti-Cancer Flavonoids Isolated From Caesalpinia bonduc Young Twigs and Leaves: Molecular Docking and In Silico Studies
dc.typeArticle
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