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Table 3 Docking parameters of this studied targets

From: In-silico design, synthesis, ADMET studies and biological evaluation of novel derivatives of Chlorogenic acid against Urease protein and H. Pylori bacterium

Compound

Docking score

Binding energy (Kcal/mol)

Glide hbond

Glide evdw

Glide ecoul

C4a

− 10.091

− 62.674

− 3.305

− 45.684

− 16.99

C4b

− 9.833

− 56.267

− 3.216

− 38.903

− 17.364

C4c

− 9.116

− 52.149

− 3.184

− 38.257

− 13.892

C4d

− 10.603

− 63.352

− 3.675

− 40.113

− 23.239

C4e

− 9.723

− 48.832

− 3.839

− 31.028

− 17.804

C4f

− 9.475

− 61.373

− 3.216

− 40.351

− 21.021

C4g

− 9.211

− 51.97

− 3.315

− 35.28

− 16.69

C4h

− 9.653

− 58.22

− 3.352

− 42.567

− 15.653

Thiourea

− 3.459

− 21.156

− 1.484

− 13.004

− 8.152

AHA

− 3.049

− 17.454

− 1.311

− 8.936

− 8.523