Chemical and Biological Insights on Phaulopsis falcisepala: A Source of Bioactive Compounds with Multifunctional Anticancer Potentials
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Date
2022-12-06
Authors
Oladipupo, A.R
Alaribe, S.C.
Ogunlaja, A.S.
Beniddir, M.A.
Ogah, C.O.
Okpuzor, J.
Coker, H.A.
Journal Title
Journal ISSN
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Publisher
Springer
Abstract
In spite of remarkable progress and success made in anticancer research, major challenges in treatment of cancer remain
recurrence of tumour and adverse efects of anticancer drugs. The search for novel, efective and safe anticancer agents,
therefore remains important. This study investigated the chemical constituents of Phaulopsis falcisepala, a plant used in
ethnomedicine to treat cancer; and evaluated anticancer and drug-likeness potentials of the constituents against selected
non-small cell lung cancer (NSCLC), breast cancer, and chronic myelogenous leukemia (CML) targets. Lupeol and a
mixture of stigmasterol and β-sitosterol were isolated from P. falcisepala and characterized using NMR, MS and IR data.
Additional ffteen compounds, including piperine, piperanine, feruloyltyramine, asperglaucide and 6,7-dihydrofavopereirine
were putatively identifed in the plant by analysis of its MS/MS data against tandem MS/MS data repository using the Global
Natural Products Social Molecular Networking tool (GNPS). Using molecular docking, stigmasterol (‒ 7.8 to ‒ 10.1 Kcal/
mol), β-sitosterol (‒7.0 to ‒ 9.9 Kcal/mol), and lupeol (‒ 8.2 to ‒ 9.2 Kcal/mol) showed considerable binding afnities
against non-small cell lung cancer and breast cancer molecular targets when compared to the reference inhibitors (‒ 8.4 to
‒ 10.8 Kcal/mol). Piperine (‒ 8.5 to ‒ 9.8 Kcal/mol), piperanine (‒ 8.5 to ‒ 9.6 Kcal/mol), and 6,7-dihydrofavopereirine
(‒ 8.0 to ‒ 10.2 Kcal/mol) exerted good interactions with the active site, allosteric site and mutant form of BCR-ABL, an
important target in chronic myelogenous leukemia. Many of the compounds in P. falcisepala were shown to possess fair to
favourable drug likeness and ADME properties. However, lupeol, stigmasterol and β-sitosterol were predicted to have poor
oral absorption.
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Citation
Oladipupo, A.R., Alaribe, S.C.A., Ogunlaja, A.S. (2022)et al. Chemical and Biological Insights on Phaulopsis falcisepala: A Source of Bioactive Compounds with Multifunctional Anticancer Potentials. Chemistry Africa