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Table 5 Docking score and binding energy of compound 4 and 7 with standard drug ofloxacin

From: Design, synthesis, in silico studies and biological evaluation of 5-((E)-4-((E)-(substituted aryl/alkyl)methyl)benzylidene)thiazolidine-2,4-dione derivatives

Compound

Docking score

Interacting residues

4

− 4.73

PRO87, ILE86, GLY85, ARG84, GLY83, ASP81, THR173, GLU 58, SER55, ASN54, ILE51, GLU50, VAL131, VAL130, SER129, SER128, LEU103, ILE102

7

− 4.61

PRO87, ARG144, ILE86, GLY85, ARG84, GLY83, ASP81, THR173, GLU 58, SER55, ASN54, GLU50, VAL130, SER129, SER128, LEU103, ILE102

Ofloxacin

− 5.107

PRO87, ILE86, GLY85, ARG84, GLY83, ASP81, VAL131, SER129, SER128, LEU103, ILE102, THR173, ILE175, GLU58, SER55, ASN54, ILE51

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BMC Chemistry

ISSN: 2661-801X

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