Virtual screening and molecular dynamic simulations of the antimalarial derivatives of 2-anilino 4-amino substituted quinazolines docked against a Pf-DHODH protein target

Egyptian Journal of Medical Human Genetics

Table 6 Hydrogen bonding details between the protein receptor and five of the most active ligands

S/N	No. of H-bond(s)	H-binding ligand		Residue	H-binding receptor		H-bond distance (Å)
S/N	No. of H-bond(s)	Element	Type	Residue	Element	Type	H-bond distance (Å)
C-2	8	O	A	Gly277	H	D	2.7238
		O	A	Phe278	H	D	2.4607
		O	A	Asn347	H	D	2.3411
		N	A	Lys429	H	D	2.3244
		O	A	Gly506	H	D	2.0826
		F	A	Ile508	H	D	2.9660
		O	A	Ile508	H	D	2.0304
		H	D	Ala225	O	A	2.6270
C-6	4	O	A	His185	H	D	2.4212
		F	A	Cys276	H	D	2.5968
		N	A	Lys429	H	D	2.6870
		F	A	Ile508	H	D	2.4380
C-1	3	F	A	His185	H	D	2.6481
		N	A	Lys429	H	D	2.5974
		F	A	Ile508	H	D	2.3874
C-8	1	F	A	Ile508	H	D	2.1562
C-7	3	N	A	Lys429	H	D	2.2420
		O	A	Asn458	H	D	2.6898
		F	A	Ile508	H	D	2.5555