Computational Screening of Neuropilin-1 Unveils Novel Potential Anti-SARS-CoV-2 Therapeutics

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dc.contributor.authorAfiadenyo, M.
dc.contributor.authorAdams, L.
dc.contributor.authorAgoni, C.
dc.contributor.authoret al.
dc.date.accessioned2024-01-17T20:08:42Z
dc.date.available2024-01-17T20:08:42Z
dc.date.issued2023
dc.descriptionResearch Articleen_US
dc.description.abstractNeuropilin 1 (NRP-1) inhibition has shown promise in reducing the infectivity of severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) and preventing the virus entry into nerve tissues, thereby mitigating neurological symptoms in COVID-19 patients. In this study, we employed virtual screening, including molecular docking, Molecular Dynamics (MD) simulation, and Molecular Mechanics-Poisson Boltzmann Surface Area (MMPBSA) calculations to identify potential NRP-1 inhibitors. From a compendium of 1930 drug-like natural compounds, we identified five potential leads: CNP0435132, CNP0435311, CNP0424372, CNP0429647, and CNP0427474, displaying robust binding energies ofen_US
dc.identifier.otherdoi.org/10.1002/cbdv.202301227
dc.identifier.urihttp://ugspace.ug.edu.gh:8080/handle/123456789/41093
dc.language.isoenen_US
dc.publisherChemistry & Biodiversityen_US
dc.subjectC-end ruleen_US
dc.subjectmolecular dockingen_US
dc.subjectneuropilin-1en_US
dc.titleComputational Screening of Neuropilin-1 Unveils Novel Potential Anti-SARS-CoV-2 Therapeuticsen_US
dc.typeArticleen_US

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