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Article

Unveiling KRAS G12D inhibition: from molecular dynamics to therapeutic strategies.

Journal of biomolecular structure & dynamics - 1 Jul 2026

Omotara Bamidele Samson, Solanki Pruthvirajsinh Rajendrasinh, Manica Amena Khatun, Ajala Chinedum Favour, Junaid Idris Oladimeji, Anifowose Lateef Owolabi, Adeniran Temilade Rukayat, Nwachukwu Favour, Farayola Racheal Olatunmike, Abdulrazaq Ibrahim Tope, Ashiru Mojeed Ayoola, Oyedele Abdul-Quddus Kehinde

Abstract excerpt

Addressing the KRAS G12D mutation, a common driver in various cancers, remains a formidable challenge in targeted therapy development. In our study, we performed an extensive molecular dynamics simulation totaling 12 μs across several protein-ligand complexes to uncover the most promising inhibitors against this mutation. Among experimental candidates, THZ835, MTRX1133 and THZ816-THZ835 stood out, exhibiting...

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Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

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Identifiers

PMID: 40985047
DOI: 10.1080/07391102.2025.2563084

Genes

KRAS

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 3 Sept 2026.

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Unveiling KRAS G12D inhibition: from molecular dynamics to therapeutic strategies.PMID 40985047Read ↗

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