Inhibition of monoamine oxidases by benzimidazole chalcone derivatives

Applied Biological Chemistry

Table 2 Computational studies of benzimidazole chalcone derivatives

CODE	Log S (Log mol/L)	GI Absorption	BBB perm	Metabolism
BCH1	− 4.03	High	yes	CYP1A2, CYP2C19, CYP2C9 inhibitor
BCH2	− 4.61	High	yes	CYP1A2, CYP2C19, CYP2C9 inhibitor
BCH3	− 4.61	High	yes	CYP1A2, CYP2C19, CYP2C9 inhibitor
BCH4	− 4.92	High	yes	CYP1A2, CYP2C19, CYP2C9 inhibitor
BCH5	− 4.92	High	yes	CYP1A2, CYP2C19, CYP2C9 inhibitor
BCH6	− 4.17	High	yes	CYP1A2, CYP2C19 inhibitor
BCH7	− 4.17	High	yes	CYP1A2, CYP2C19, CYP2C9 inhibitor
BCH8	− 4.58	High	yes	CYP1A2, CYP2C19, CYP2C9, CYP2D6 inhibitor
BCH9	− 4.31	High	yes	CYP1A2, CYP2C19, CYP2C9 inhibitor
BCH10	− 4.07	High	yes	CYP1A2, CYP2C19, CYP2C9, CYP2D6 inhibitor

The pharmacokinetic properties were calculated in silico using the online database ^aSwissADME (http://www.swissadme.ch/)