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  • Authors: Adebesin, Ayomide Oluwadarasimi;  Advisor: -;  Participants: Ayodele, Abigail Oluwakemi; Omotoso, Olabode; Akinnusi, Precious Ayorinde; Olubode, Samuel Olawale (2022)

  • This study features a computational approach to screen phytochemicals of V. vinifera against β-catenin, a therapeutic target protein that takes part in carcinogenesis through the wnt pathway by employing molecular docking, pharmacokinetics screening, MM/GBSA, and pharmacophore modeling approach. The molecular docking and binding energy study (Figs. 2 and 3) predicted seven compounds as lead compounds that show a better inhibitory potential when compared with the standard compounds, leucovorin Calcium and Xeloda.

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