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In silico pharmacokinetic and therapeutic evaluation of Musa acuminata peels against aluminium chloride-induced hepatotoxicity in adult BALB/c mice

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Abstract

East Africa (Musa spp.), notably Musa acuminata, “Matooke” a staple and economically important food in the region. Here, 12 selected M. acuminata peels extract (MAPE) bioactive compounds were studied for hepatoprotective potentials in aluminium chloride-induced hepatoxicity in adult BALB/c mice. GC–MS analysis was used to identify active components of MAPE. In silico estimation of the pharmacokinetic, the GCMS-identified compounds' toxicity profile and molecular docking were compared with the standard (Simvastatin) drug. Hepatotoxicity was induced using aluminium-chloride treated with MAPE, followed by biochemical and histopathological examination. Twelve bioactive compounds 2,2-Dichloroacetophenone (72870), Cyclooctasiloxane 18993663), 7-Hydroxy-6,9a-dimethyl-3-methylene-decahydro-azuleno[4,5-b]furan-2,9-dione (534579), all-trans-alpha-Carotene (4369188), Cyclononasiloxane (53438479), 3-Chloro-5-(4-methoxyphenyl)-6,7a-dimethyl-5,6,7,7a-tetrahydro-4H-furo[2,3-c]pyridin-2-one (536708), Pivalic acid (6417), 10,13-Octadecadienoic acid (54284936), Ethyl Linoleate (5282184), Oleic acid (5363269), Tirucallol (101257), Obtusifoliol (65252) were identified by GC–MS. Of these, seven were successfully docked with the target proteins. The compounds possess drug likeness potentials that do not inhibits CYP450 isoforms biotransformation. All the docked compounds were chemoprotective to AMES toxicity, hERGI, hERGII and hepatotoxicity. The animal model reveals MAPE protective effect on liver marker’s function while the histological studies show regeneration of the disoriented layers of bile ducts and ameliorate the cellular/histoarchitecture of the hepatic cells induced by AlCl3. The findings indicate that MAPE improved liver functions and ameliorated the hepatic cells' cellular or histoarchitecture induced by AlCl3. Further studies are necessary to elucidate the mechanism action and toxicological evaluation of MAPE’s chronic or intermittent use to ascertain its safety in whole organism systems.

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The datasets used and/or analysed during the current study are available from the corresponding author on reasonable request.

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This research did not receive any specific grant from funding agencies in the public, commercial, or not-for-profit sectors.

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This work was carried out in collaboration between all authors. Hope Onohuean: Conceptualization, Visualization, Methodology, Investigation, Formal analysis, Writing—original draft, review and editing. Eseohe Fanny Onohuean, Eseohe Sharon IGBINOBA, Saidi ODOMAb, Ibe USMAN, Josiah Eseoghene IFIE, Abdullateef Isiaka ALAGBONSI, Afodun Adam MOYOSORE, Godswill J. UDOM, Peter Chinedu AGU: Formal analysis, Writing—original draft, Writing—review and editing, Validation. Sharon Igbinob, Hayder M. Al‑KURAISHY, Gaber El‑Saber BATIHA, Patrick Maduabuchi Aja, Akinniyi A. OSUNTOK: Supervision, Writing—review and editing, Validation;

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Correspondence to Hope Onohuean.

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Onohuean, H., Onohuean, E.F., Igbinoba, S. et al. In silico pharmacokinetic and therapeutic evaluation of Musa acuminata peels against aluminium chloride-induced hepatotoxicity in adult BALB/c mice. In Silico Pharmacol. 12, 46 (2024). https://doi.org/10.1007/s40203-024-00216-1

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  • DOI: https://doi.org/10.1007/s40203-024-00216-1

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