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The Data-Driven Future of Drug Development

DrugBank

Data Science in Lead Optimization and Drug Design Data science accelerates the lead optimization and drug design process, transforming how molecules are engineered for therapeutic applications. These complex molecules require precise engineering to ensure optimal efficacy and safety.

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Game-changing pan-TEAD inhibitor for solid tumours

Drug Target Review

Using the structure properties of existing TEADs – which proved to be ideal in terms of pocket size and shape cavity – the Chemistry42 engine created a novel scaffold that was used as the basis for a number of possible inhibitors.

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Obstacles and innovations of macrocyclic drug development

Drug Target Review

These sites are commonly involved in protein-protein interactions, some of which are key to disease development. Food and Drug Administration (FDA) approved drugs, macrocycles are used to combat a range of diseases, including cancer, viral, fungal and bacterial infections, neurodegenerative and autoimmune diseases.