Life Chemicals has collaborated with Variational AI to tackle one of oncology’s toughest problems: overcoming resistance through selective dual inhibition. This collaboration has resulted in the successful design and synthesis of first-in-class dual EGFR/FGFR1 kinase inhibitors to address therapeutic resistance in kinase-driven cancers.
The Challenge: Resistance to EGFR- targeted Therapies
In some cancers, such as non-small cell lung cancer (NSCLC), head and neck squamous cell carcinoma (HNSCC) and cholangiocarcinoma, resistance to EGFR tyrosine kinase inhibitors frequently emerges through FGFR1 upregulation and kinase mutations. Although dual inhibition of EGFR and FGFR1 has been shown to overcome resistance, structurally validated and selective dual inhibitors remain rare.
The Solution: Generative AI + Rapid Custom Synthesis
Using the Enki™ Lead Generator for de novo molecular design combined with Life Chemicals’ medicinal chemistry and custom synthesis expertise, our joint team could promptly generate and validate novel first-in-class dual EGFR/FGFR1 kinase inhibitors.
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Key Results
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Figure 1: The generic scaffold core
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Compared to traditional high-throughput screening (HTS), this AI-driven workflow not only reduces your project time and cost, but it also enables exploration of previously uncharted dual-kinase chemical space.
AI-driven custom libraries tailored for your drug target
Thus, the advanced approach developed by Life Chemicals and Variational AI to overcome resistance through selective dual inhibition has been confirmed to provide flexible solutions for designing and delivering novel small-molecule libraries, and, along these lines, also offered are the following products and services:
✔ Generative AI molecular design using Enki™ Lead Generator to explore novel chemical space beyond known scaffolds and predict novel target-selective compounds
✔ In silico compound selectionvia docking, with pharmacophore refinement performed by our expert cheminformatics team
✔ Proprietary HTS collection of over 575,000 ready for screening drug-like compounds in stock
✔ Custom synthesis services for swift preparation of new molecules and expansion of hits
Covering the shortest pathways from virtual AI-powered design to screening-ready compounds, we can optimize your drug discovery programs targeting kinases, GPCRs, proteases, oncology targets, and beyond.
Unlock new partnering opportunities! Order unique screening libraries and boost your drug discovery! Contact us for details at marketing@lifechemicals.com.
