Targeting Y220C mutated p53 by Foeniculum vulgare-derived phytochemicals as cancer therapeutics.
Saksham GargJapneet SinghSmita Rastogi VermaPublished in: Journal of molecular modeling (2023)
For the purposes of drug repurposing, recently in-silico methods have presented with opportunity to rule out many compounds which have less probability to act as a drug based on their structural moiety and interaction with the target macromolecule. The study here utilizes molecular docking via Autodock 4.2.6 and molecular dynamics using Schrodinger 2021 to find potential therapeutic options which are capable to reactive the mutated TP53 protein.