Structure based docking and biological evaluation towards exploring potential anti-cancerous and apoptotic activity of 6-Gingerol against human prostate carcinoma cells

Table 4 Calculated binding energies (kcal/mol) and IC₅₀ value

6-Gingerol	Receptor	Center coordinates of Grid box (Center)			Space sizes of Grid box (Dimension)			IC₅₀ value (mM)	Binding energies (kcal/mol)
6-Gingerol	Receptor	x	y	z	x	y	z	IC₅₀ value (mM)	Binding energies (kcal/mol)
Non-optimized	ERβ	19.42	34.00	38.07	26	26	26	1.81	-3.74
Non-optimized		19.42	34.00	38.07	40	40	40	13.38	-2.56
Optimized		19.42	34.00	38.07	26	26	26	29.78	-2.08
Optimized		19.42	34.00	38.07	40	40	40	24.30	-2.20
Bicalutamide		19.42	34.00	38.07	26	26	26	83.62^a	-5.56
Bicalutamide		19.42	34.00	38.07	40	40	40	680.40^a	-4.32
Non-optimized	AR	20.38	5.33	11.21	26	26	26	131.41^a	-5.30
Non-optimized		20.38	5.33	11.21	40	40	40	7.59	-2.89
Optimized		20.38	5.33	11.21	26	26	26	23.84	-2.21
Optimized		20.38	5.33	11.21	40	40	40	10.58	-2.70
Bicalutamide		20.38	5.33	11.21	26	26	26	700.33^a	-4.3
Bicalutamide		20.38	5.33	11.21	40	40	40	81.00*	-5.58

ISSN: 2662-7671