Table 2.

Time-averaged H-bond properties obtained from MD simulation of five complexes.

Protein	Ligand	H-bond (number)	H-bond distance (average, Å)	H-bond angle (average, °)	Detected H-bonds
PTGS2	Isorhamnetin	2.5	2.94	14.88	18
MAPK1	Moracin M	4.0	2.85	16.15	19
LCN2	Rutin	2.8	2.85	14.59	45
TNF	Rutin	2.2	2.94	16.93	25
MMP9	Oxyresveratrol	4.3	2.78	14.78	20