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Game-changing pan-TEAD inhibitor for solid tumours

Drug Target Review

TEAD proteins are crucial for tumour progression and drug resistance, making them an attractive focus for therapeutic interventions. Leveraging AI-guided structure-based drug design, Insilico’s research and development team generated an impressive portfolio of over 6,000 molecules and identified three highly promising hit series.

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Assessment of AI-generated chemical structures using ML

Molecular Design

Previous Next In an earlier post I considered what it might mean to describe drug design as AI-based. In that earlier post I noted that there’s a bit more to drug design than simply generating novel molecular structures and suggesting how the compounds should be synthesized.

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Breaking C-F bonds in drugs

Metabolite Tales Blog

Breaking C-F bonds in drugsmetabolism mediated release of fluorine By Samuel Coe and Julia Shanu-Wilson Lenacapavir, recently approved for multi-drug resistant HIV-1 infection, contains 10 fluorine atoms. Increasingly used in drug design, some drug structures are now bristling with fluorine atoms.

Drugs 52
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Efficient trajectories

Molecular Design

While the Ro5 article highlighted molecular size and lipophilicity as pharmaceutical risk factors, the rule itself is actually of limited utility as a drug design tool. back in 2015 and you may find this review of that seminal contribution to the drug design literature to be informative.