Table 4.

Binding efficacy of ZINC04534268 against caspase 8 at different time intervals and the active site residues involved in the binding.

Time Period	Gold Fitness Score	Residues
		Hydrogen Bond	Hydrophobic Interaction
0 ns	60.48	R179, S236, C285, R341	H237, C285, S339, Y340, R341, D381B, K381D,
5 ns	52.37	R179	R179, H237, C285, V338, R341, P343, N381E,
10 ns	55.96	S339, R341	R179, H237, C285, Y290, K292, S339, Y340, R341
15 ns	57.52	A332, R341, G383	R179, N180, G181, D185, Q283, Y340, R341, G346, T347, D381A, N381E, G383, Q385,
20 ns	58.68	R179, H237	S175J, H237, C285, G287, D288, Y290, V338, Y340, R341, P343,