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Table 2 Docking scores and energies of rutin with crystal structure of H. pylori 4HI0

From: Inhibitory potential of rutin and rutin nano-crystals against Helicobacter pylori, colon cancer, hemolysis and Butyrylcholinesterase in vitro and in silico

Mol

S

rmsd_refine

E_conf

E_place

E_score1

E_refine

E_score2

Rutin

− 7.47778

1.957023

177.1588

− 62.5887

− 10.5208

− 27.7999

− 7.47778

Rutin

− 7.30962

1.51214

140.1248

− 74.3798

− 10.9772

− 44.6774

− 7.30962

Rutin

− 6.94588

1.932674

133.3282

− 86.3139

− 12.1694

− 41.521

− 6.94588

Rutin

− 6.7668

3.867486

131.0068

− 90.865

− 10.8535

− 39.5178

− 6.7668

Rutin

− 6.71519

2.079944

132.2194

− 87.5385

− 10.3369

− 30.4621

− 6.71519