Table 2.

Table displaying docking interactions and bond distances of the top scoring ligands with the active site of the target protein.

Ligand Name	Residues Involved in Interaction	Type of Interaction	Bond Distance (Å)
Cepharantine	LIG:C---HIS457:O	Carbon Hydrogen Bond	2.99
	HIS575:NE2---LIG	Pi-Cation	4.64
	LIG:H---HIS459	Pi-Cation; Pi-Donor Hydrogen Bond	2.89
	ILE489:HN---LIG	Pi-Donor Hydrogen Bond	2.60
	HIS575---LIG	Pi-Pi T-shaped	4.64
	LIG:C---PRO580	Alkyl	3.65
	HIS430---LIG:C	Pi-Alkyl	5.01
	HIS575---LIG:C	Pi-Alkyl	4.64
	LIG---ILE489	Pi-Alkyl	4.76
	LIG---LEU491	Pi-Alkyl	5.30
Zafirlukast	ASN318:HD21---LIG:O	Hydrogen Bond	2.05
	HIS575:HD1---LIG:O	Hydrogen Bond	2.46
	HIS575:HD1---LIG:O	Hydrogen Bond	2.09
	LIG:H---ILE489:O	Hydrogen Bond	2.11
	PRO580:CD---LIG:O	Carbon Hydrogen Bond	3.70
	LIG:C---THR458:O	Carbon Hydrogen Bond	3.23
	ILE489:HN---LIG	Pi-Donor Hydrogen Bond	2.61
	GLY490:CA---LIG	Pi-Sigma	3.64
	VAL284---LIG	Alkyl	4.91
	VAL324---LIG	Alkyl	4.70
	LIG:C---ILE489	Alkyl	4.55
	LIG:C---ILE489	Alkyl	4.81
	HIS319---LIG	Pi-Alkyl	5.42
	LIG--- ILE489	Pi-Alkyl	4.70
	LIG---LEU491	Pi-Alkyl	5.34
Atovaquone	ASN318:HD21---LIG:O	Hydrogen Bond	2.57
	ASN318:HD22---LIG:O	Hydrogen Bond	2.76
	TYR488:HH---LIG:O	Hydrogen Bond	2.35
	HIS457:CE1---LIG:O	Carbon Hydrogen Bond	3.75
	HIS282:NE2---LIG	Pi-Cation	4.87
	HIS319:NE2---LIG	Pi-Cation	3.68
	HIS319:HE2---LIG	Pi-Cation; Pi-Donor Hydrogen Bond	3.08
	ILE489:HN---LIG	Pi-Donor Hydrogen Bond	2.60
	HIS319---LIG	Pi-Pi T-shaped	4.52
	LIG:CL---VAL460	Alkyl	5.40
	LIG:CL---LEU491	Alkyl	4.24
	HIS459---LIG	Pi-Alkyl	5.11
	TYR488---LIG	Pi-Alkyl	5.03
	HIS575---LIG:CL	Pi-Alkyl	4.93
	LIG---VAL284	Pi-Alkyl	5.27
	LIG---VAL324	Pi-Alkyl	4.85
	LIG---ILE489	Pi-Alkyl	4.56