Table 4. Comparison of the interacting residues both pre and post MD simulation.

Compound	Binding interactions post docking (pre MD simulation)	Binding interactions post MD simulation
1.	Ile223, Met222, Asn183, Asp182, Pro252, Tyr255, Val195, Pro188, Glu192, Leu196	Tyr256, Prot188, Glue192, Tyr255, Leu196
2.	Arg299, Asp214, Thr6, Ala7, Leu138, Thr323, Ala325, Asp61, Met59, Pro62, Ala57	Arg299, Met59, Ala57, Leu138, Ala7, Pro62, Asp61, Thr323
3.	Arg132, Ala51, Leu130, Val172, Gly49, Met46, Val150	Met46, Phe129, Asn131, Arg132
4.	Pro62, Tyr178, Asp214, Thr6, Ala7, Trp23, Asp19, Ile298, Val5, Leu138, Thr323	Glu63, Val321, Gln322, Arg299, Asp61, Val5, Ile298, Leu270, Ala55, Leu138, Pro62, Met59, Thr323, Asp19, Val10
5.	Tyr255, Asp182, Pro252, Asn187, Gln189	Ile256, Leu259, Leu196, Ile199, Glu192, Asn187, Tyr256, Tyr255