Table 4.

Hydrogen bond interactions formed between the complexes of PTP1B-Shikonin, and PTP1B- top 4 filtered molecules within the active site.

S. No.	Compound	Hydrogen Bonds	Gold Fitness Score
1.	Shikonin	ARG24, GLN262, ASP48, MET258, AND SER28	46.3057
2.	ZINC31168041	SER215, SER216, ALA217, GLY218, ILE219, GLY220, ARG221, ARG254, ARG24, SER215, SER216, GLN262.	116.001
3.	ZINC31168045	ARG24, PHE182, SER215, SER216, ALA217, GLY220, ARG221, ARG254, GLN266.	118.114
4.	ZINC31168048	ARG24, PHE182, SER215, ALA217, GLY218, ILE219, ARG221, ARG254, GLN266, ASP181.	115.39
5.	ZINC31168554	LYS120, SER216, ARG221, GLN266, SER215	59.7591