Drug interaction prediction using ontology-driven hypothetical assertion framework for pathway generation followed by numerical simulation

Table 1 AUC and Cmax of blood concentration/time profile obtained by numerical simulations.

	Irinotecan	APC	NPC	SN-38	SN-38G
AUC_KCZ-[nmol·min/ml]	672	233	14.2	29.8	137
Cmax_KCZ-[μ M]	2.22	0.290	0.0113	0.0491	0.129
AUC_KCZ+[nmol·min/ml]	721	112	5.01	32.2	147
Cmax_KCZ+[μ M]	2.29	0.0741	0.00228	0.0515	0.136
AUC_KCZ+/AUC_KCZ-[%]	107	48.1	35.3	108	107
Cmax_KCZ+/Cmax_KCZ-[%]	103	25.6	20.2	105	105
AUC_UGT[nmol·min/ml]	672	233	14.2	62.1	85.5
Cmax_UGT[μ M]	2.22	0.290	0.0113	0.0812	0.0693
AUC_UGT/AUC_KCZ-[%]	100	100	100	208	62.4
Cmax_UGT/Cmax_KCZ-[%]	100	100	100	165	53.7

AUC and Cmax values for solo administration of irinotecan (AUC_KCZ-, Cmax_KCZ-), co-administration of irinotecan and ketoconazole (AUC_KCZ+, Cmax_KCZ+), and sole administration of irinotecan with patients having UGT1A1*28/*28 (AUC_UGT, Cmax_UGT) were obtained.

ISSN: 1471-2105