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Article

Characterization of the binding of MRTX1133 as an avenue for the discovery of potential KRASG12D inhibitors for cancer therapy.

Scientific reports - 22 Oct 2022

Issahaku Abdul Rashid, Mukelabai Namutula, Agoni Clement, Rudrapal Mithun, Aldosari Sahar M, Almalki Sami G, Khan Johra

Abstract excerpt

The Kirsten rat sarcoma (KRAS) oncoprotein has been on drug hunters list for decades now. Initially considered undruggable, recent advances have successfully broken the jinx through covalent inhibition that exploits the mutated cys12 in the switch II binding pocket (KRASG12C). Though this approach has achieved some level of success, patients with mutations other than cys12 are still uncatered for. KRASG12D is the...

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PMID: 36273239
DOI: 10.1038/s41598-022-22668-1
PMCID: PMC9588042

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Characterization of the binding of MRTX1133 as an avenue for the discovery of potential KRASG12D inhibitors for cancer therapy.PMID 36273239Read ↗

Pathways and mechanism of MRTX1133 binding to KRAS G12D elucidated by molecular dynamics simulations and Markov state models.Semantic proximity Read ↗

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A Nonconserved Histidine Residue on KRAS Drives Paralog Selectivity of the KRASG12D Inhibitor MRTX1133.Semantic proximity Read ↗

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