Article

Scaffold-Aware QSAR, BRICS Analog Design, and Docking Consensus for Prioritizing KRAS G12C-Targeted Cancer Therapeutic Leads

2026-05-28

Abstract excerpt

<title>Abstract</title> <p>KRAS remains a high-priority oncology target because clinically validated inhibition is still limited by mutant-specific biology, shallow ligandable pockets, and frequent mechanisms of resistance. Here, a reproducible, open-source computational workflow was developed to prioritize KRAS G12C candidate molecules before experimental synthesis or testing. The workflow combines ChEMBL bioact...

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Literature Corpus work: 65ee9515-1c6b-5b82-9c40-d876df52b030
DOI: 10.21203/rs.3.rs-9816587/v1

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