Antiproliferative Efficacy of Kaempferol on Cultured Daudi Cells: An In Silico and In Vitro Study

Table 2

Protein-Ligand Interaction Profiler results of different time intervals of MD simulation of hGCN5-Kaempferol complex.

Time intervals (ps)	Hydrophobic interactions		Hydrogen bonds		Water bridges		π-stacking
	Amino acids residue	Distance	Amino acids residue	Distance	Amino acids residue	Distance	Amino acids residue	Distance
0	Tyr 621	3.65	Cys 579	1.80	Val 581	3.76	Tyr 621	3.95
	Val 587	1.89	Val 518	3.00	Tyr 621	4.81
	Gly 589	2.11
100	Leu 531	3.72	Asp 615	2.16	Gly 591	3.72	Tyr 621	3.74
	Tyr 617	3.89	Asp 615	1.59
	Ala 618	3.58
	Phe 622	3.68
200	Leu 531	3.21	Asp 615	2.11	Val 581	3.17	Tyr 621	4.02
	Tyr 617	3.94	Asp 615	2.54	Gln 586	2.76
	Ala 618	3.67	Tyr 617	3.30
	Phe 622	3.94
300	Ala 618	3.36	Cys 579	1.75	Arg 533	3.42	Tyr 621	6.39
	Tyr 617	3.70	Asp 615	2.00	Cys 579	3.43	Phe 622	5.30
	Phe 622	3.65	Asp 615	1.56	Val 581	3.71
					Val 581	3.59
400	Asp 615	3.90	Cys 579	3.30	Val 581	3.66	Tyr 621	3.85
	Ala 618	3.36	Cys 579	1.65
	Phe 622	3.58	Asp 615	2.72
			Asp 615	1.60
Average	Ala 618	3.26	Asp 615	3.16			Tyr 621	3.78
	Tyr 621	3.63	Asp 615	2.13			Tyr 621	3.73
	Phe 622	3.75	Asp 615	2.25