In-silico characterization of phytochemicals identified from Vitex negundo (L) extract as potential therapy for Wnt-signaling proteins

Egyptian Journal of Medical Human Genetics

Table 6 Binding affinities of WNT signaling proteins with shortlisted phytochemicals

Ligands	APC		Axin		β-catenin		DSH		GSK3β
Ligands	H-bonds	Binding energy	H-bonds	Binding energy	H-bonds	Binding energy	H-bonds	Binding energy	H-bonds	Binding energy
Casticin	2	− 8.4	3	− 6.9	0	− 6.7	7	− 7.3	1	− 7.3
Isoorientin	5	− 8.4	5	− 6.9	1	− 6.8	7	− 8.4	2	− 7.5
Luteolin	3	− 8.0	3	− 6.1	2	− 7.5	7	− 8.4	5	− 6.8
4- hydroxy benzoic acid	2	− 6.5	3	− 4.2	0	− 4.7	7	− 5.9	1	− 4.7
Chryophanol	3	− 8.7	5	− 6.3	2	− 7.1	7	− 8.4	1	− 7.8
Silibinin	4	− 8.2	4	− 8.0	2	− 8.8	7	− 9.1	4	− 9.1
Capecitabine	3	− 7.8	2	− 5.9	4	− 6.6	6	− 8.2	3	− 7.1
Fluorouracil	0	− 4.5	2	− 4.7	1	− 4.2	6	− 5.2	2	− 4.5
Irinotecan	1	− 11.9	3	− 8.4	2	− 9.5	6	− 11.2	3	− 9.4