[Retracted] In Silico Characterization of Growth Differentiation Factors as Inhibitors of TNF-Alpha and IL-6 in Immune-Mediated Inflammatory Disease Rheumatoid Arthritis

Table 3

ADMET profiling of the best selected peptides.

	Peptides
	AQET	DGSP	TETV	SAGP	GSAG	ISMA	ANPR	AFDP	AGPC
Absorption
BBB	+	+	+	+	+	+	+	−	+
HIA	−	−	−	−	−	−	−	−	−
Caco-2 permeability	−	−	−	−	−	−	−	−	−
PGS	NS	Substrate	NS	NS	NS	Substrate	Substrate	Substrate	Substrate
PGI	NI	NI	NI	NI	NI	NI	NI	NI	NI
ROCT	NI	NI	NI	NI	NI	NI	NI	NI	NI
Metabolism
CYP3A4 substrate	NS	Substrate	NS	Substrate	NS	NS	Substrate	Substrate	Substrate
CYP2C9 substrate	NS	NS	NS	NS	NS	Substrate	NS	NS	NS
CYP2D6 substrate	NS	NS	NS	NS	NS	NS	NS	NS	NS
CYP3A4 inhibition	NI	NS	NI	NS	NI	NI	NI	NI	NI
CYP2C9 inhibition	NI	NI	NI	NI	NI	NI	NI	NI	NI
CYP2C19 inhibition	NI	NI	NI	NI	NI	NI	NI	NI	NI
CYP2D6 inhibition	NI	NI	NI	NI	NI	NI	NI	NI	NI
CYP1A2 inhibition	NI	NI	NI	NI	NI	NI	NI	NI	NI
Toxicity
AMES toxicity	NAT	NAT	NAT	NAT	NAT	NAT	NAT	NAT	NAT
Carcinogens	NC	NC	NC	NC	NC	NC	NC	NC	NC

BBB: blood-brain barrier; HIA: human intestinal absorption; PGS: P-glycoprotein substrate; PGI: P-glycoprotein inhibitor; ROCT: renal organic cation transporter; NS: nonsubstrate; NI: noninhibitor; NAT: non-Ames toxic; NC: noncarcinogenic.