The FDA approved the cMet/ALK dual inhibitor Crizotinib in 2011. In human cancers, the overexpression of the c-Met protein has frequently been found. Therefore, c-MET is a desirable and promising anticancer target. The initial step of CADD was to explore kinase inhibitors, specifically indolin-2-one derivatives, for c-MET inhibition. The intense anti-c-MET activity was demonstrated by PHA-665752. But its negative drug-like aspects, unfortunately, prevented further research on the compound. Its co-crystal with c-MET revealed the critical inhibitor binding site. One of the recently created compounds showed remarkable c-MET inhibition. improving the binding effectiveness by lipophilic efficiency and employing structure-based design techniques upon docking the structure lead to benzyloxy and aminopyridine group optimization and chiral centre evaluation. Finally, Crizotinib, an effective tumour growth inhibitor has been achieved.
Overall, the use of ML in drug discovery is still a relatively new field, and there is a lot of ongoing research to explore its full potential.
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