Evaluation of selected carotenoids of Lycopersicon esculentum variants as therapeutic targets for 'Alzheimer's disease: an in silico approach BMC Molecular and Cell Biology

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dc.contributor.authorBakare, Olalekan
dc.contributor.authorOluwaseun, Fadaka Adewale
dc.contributor.authorAkanbi, Musa Oyebowale
dc.date.accessioned2021-10-12T12:09:03Z
dc.date.available2021-10-12T12:09:03Z
dc.date.issued2021-10
dc.description.abstractThe seriousness and menace of the worldwide weight of 'Alzheimer's disease have been related to a few factors, which incorporate antioxidant system depletion, mutation of proteins, and high expression of cholinesterases due to ageing, environmental influence, diet, infectious agents, and hormonal imbalance. Overexpression of cholinesterases has been emphatically connected to 'Alzheimer's disease because of the unreasonable hydrolysis of acetylcholine and butyrylcholine. Certain plant phytochemicals, for example, beta-carotenoids, lutein, neoxanthin, and viola-xanthine from Lycopersicon esculentum Mill. Var. esculentum (ESC) and Lycopersicon esculentum Mill. Var. cerasiforme (CER) has been utilized altogether as a therapeutic candidate for the treatment of 'Alzheimer's disease. Therefore, this research sought to investigate the drug-likeness of the individual carotenoids as detailed for cholinesterase inhibition in the treatment of 'Alzheimer's disease. Four potential cholinesterase inhibitors from ESC and CER were retrieved from the PubChem database. Investigation of their drug-likeness, toxicity prediction, molecular docking, and dynamic simulations were carried out using Molinspiration, PreADMET V.2.0, Patchdock server, and Schrodinger Maestro software respectively. Neoxanthin was ranked the safest with a greater tendency to inhibit the cholinesterases with high binding affinity. In addition, its stability after simulation in a mimicked biological environment suggests its relevance as a potential drug candidate for the treatment of 'Alzheimer's disease through the inhibition of cholinesterases.en_US
dc.identifier.citationBakare, O. et al (2021). Evaluation of selected carotenoids of Lycopersicon esculentum variants as therapeutic targets for 'Alzheimer's disease: an in silico approach BMC Molecular and Cell Biology. BMC Molecular and Cell Biology. 22. 1-13. 10.1186/s12860-021-00386-2.en_US
dc.identifier.uriDOI: 10.1186/s12860-021-00386-2
dc.identifier.urihttp://hdl.handle.net/10566/6896
dc.language.isoenen_US
dc.publisherSpringeren_US
dc.subjectAlzheimer's diseaseen_US
dc.subjectEnvironmental influencesen_US
dc.subjectCholinesterase inhibitorsen_US
dc.subjectToxicity predictionen_US
dc.titleEvaluation of selected carotenoids of Lycopersicon esculentum variants as therapeutic targets for 'Alzheimer's disease: an in silico approach BMC Molecular and Cell Biologyen_US
dc.typeArticleen_US

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