Synthesis, In Silico, and Biological Applications of Novel Heteroleptic Copper (II) Complex of Natural Product-Based Semicarbazone Ligands

Table 7

ADME expectations worked out by Swiss ADME and preADMET.

S. No.	Ligands	SPV () cm/s	GIA	BBBp	Inhibitor interactions
					Pgps	CYP1A2 inhibitor	CYP2C19 inhibitor	CYP2C9 inhibitor	CYP2D6 inhibitor	CYP3A4 inhibitor
1	L 1	−8.33	High	No	No	No	No	No	No	No
2	L 2	−7.15	High	No	No	No	No	No	No	No
3	[Cu(L1) (L2)	−7.45	High	No	No	No	No	No	No	No
	Trimethoprim	−7.42	High	No	Yes	No	No	No	No	No
	Ascorbic acid	−8.54	High	No	No	No	No	No	No	No

SPV = skin permeability value, CYP = cytochrome-P, BBB = blood brain barrier permeability, GIA = gastrointestinal, and P-gp = P-glycoprotein substrate.