BMC Chemistry

Table 5 In silico pharmacokinetics prediction of sulfonamides

From: Design, synthesis, ADME prediction and pharmacological evaluation of novel benzimidazole-1,2,3-triazole-sulfonamide hybrids as antimicrobial and antiproliferative agents

Compd. no	In silico pharmacokinetics
Compd. no	GI absorption	BBB permeant	P-gp	CYP1A2 inhibitor	CYP2D6 inhibitor	Log K_p (skin permeation), cm/s
4a	Low	No	Yes	No	No	− 7.01
4b	Low	No	Yes	No	No	− 7.42
4c	Low	No	Yes	Yes	No	− 6.95
4d	Low	No	No	No	No	− 6.91
4e	Low	No	No	No	No	− 6.85
4f	Low	No	No	No	No	− 7.81
6a	Low	No	Yes	No	No	− 8.43
6b	Low	No	Yes	No	No	− 9.23
6c	Low	No	Yes	No	No	− 8.29
6d	Low	No	Yes	No	No	− 8.22
6e	Low	No	Yes	No	No	− 8.11
6f	Low	No	No	No	No	− 10.03
Cipro.	High	No	Yes	No	No	− 9.09
Fluco.	High	No	No	No	No	− 7.92

GI, gastro intestinal; P-gp, P-glycoprotein; BBB, blood brain barrier; CYP1A2, cytochrome P450 family 1 subfamily A member 2 (PDB: 2HI4); CYP2D6, cytochrome P450 family 2 subfamily D member 6 (PDB: 5TFT)

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ISSN: 2661-801X

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