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The molecular docking analysis of the interactions between derivatives 3a-h, 7, 9, 11, 13, and the CDK-5 enzyme (PDB ID 3IG7) provided further insights and strongly corroborated the experimental results. Subsequently, the drug-likeness evaluation of the reported derivatives pointed towards derivative 9 (binding affinity of -834 kcal/mol) potentially achieving improved pharmacokinetic properties, drug likeness, and oral bioavailability as opposed to doxorubicin (-704 kcal/mol). Thes
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