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Computational chemistry and molecular modeling techniques can predict potential drug candidates' binding affinity and pharmacokinetic properties, enabling the selection of the most promising compounds for further development. These complex molecules require precise engineering to ensure optimal efficacy and safety.
What are the preclinical characteristics of ISM6331, including its efficacy, safety profile, and drug metabolism and pharmacokinetics (DMPK) properties? The system optimised the molecules that were most likely to succeed in terms of potency, metabolicstability, synthetic accessibility, and more.
To curb glucuronidation at that position a gem-dimethyl group was incorporated which not only boosted metabolicstability, but also resulted in increased potency of the final lead compound. 8(2):3640-3648; [link] [11] Pharmacokinetics of the Multi-kinase Inhibitor Pexidartinib: Mass Balance and Dose Proportionality. Oncotarget.
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