Article
Pharmacophoric analogs of sotorasib-entrapped KRAS G12C in its inactive GDP-bound conformation: covalent docking and molecular dynamics investigations.
Molecular diversity - 1 Aug 2023
Oyedele Abdul-Quddus Kehinde, Ogunlana Abdeen Tunde, Boyenle Ibrahim Damilare, Ibrahim Najahtulahi Opeyemi, Gbadebo Ibrahim Olajide, Owolabi Nurudeen Abiodun, Ayoola Ashiru Mojeed, Francis Ann Christopher, Eyinade Olajumoke Habeebah, Adelusi Temitope Isaac
Abstract excerpt
For decades, KRAS G12C was considered an undruggable target. However, in recent times, a covalent inhibitor known as sotorasib was discovered and approved for the treatment of patients with KRAS G12C-driven cancers. Ever since the discovery of this drug, several preclinical efforts have focused on identifying novel therapeutic candidates that could act as covalent binders of KRAS G12C. Despite these intensive...
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