Pharmacophoric analogs of sotorasib-entrapped KRAS G12C in its inactive GDP-bound conformation: covalent docking and molecular dynamics investigations

Abdul-Quddus Kehinde Oyedele, Abdeen Tunde Ogunlana, Ibrahim Damilare Boyenle, Najahtulahi Opeyemi Ibrahim, Ibrahim Olajide Gbadebo, Nurudeen Owolabi, Ashiru Mojeed Ayoola, Ann Christopher Francis, Olajumoke Eyinade, Temitope Isaac Adelusi