In this research, scientists conducted structural modifications and optimizations to search for new structures with appropriate balance among potency, selectivity, drug-like properties, and safety. (VIDEO)
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Notably, Insilico’s self-developed Chemistry42 played a crucial role in this research by generating the pyrrolopyrazine carboxamide core as a starting point for further molecular design. Moreover, Chemistry42 facilitated molecular modeling for binding affinity and selectivity prediction, helping the research team identify compound 10 with unique structure.
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Insilico Medicine
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