Table 5.

Molecular interactions between TMPRSS2 with its inhibitors after MD simulation of 500 ns.

Sr. No.	Name of Inhibitors	TMPRSS2 Residues involve in various interactions	No. Hydrogen bonds	Interacting residues in hydrogen bond
1	Camostat mesylate	His279, Cys281, Gly282, His296, Ile381, Gly385, Ala386, Glu389, Ser394, Asn398, Ser436, Gly439, Ser441, Gly442, Gly443, Ala295 GLU299 Tyr337	4	Ala386, Glu389, Ser441, Gly442,
2	Nafamostat	His229, Ser272, Leu273, Val280, Cys281, Gly282, Ile314, Leu315, Ala386, Glu389, Lys390, Gly391, Thr393, Ser394, Gln438, Ser441,	5	Glu389, Gly391, Thr393, Gln438, Ser441,
3	Bromhexine hydrochloride	Ile381, Gly385, Ala386, Lys390, Gly391, Asn398, Ala400, Val434, Asp440, Ser441,	3	Asn398, Ala386, Val434,