Table 2 FRED binding energies of the top twenty natural compounds used in this study.

From: A comprehensive computational study to explore promising natural bioactive compounds targeting glycosyltransferase MurG in Escherichia coli for potential drug development

No

Name

FRED Chemgauss4 score

1

NPC272174

− 10.2568

2

NPC170742

− 10.0554

3

NPC117260

− 9.96509

4

NPC277205

− 9.96279

5

NPC259098

− 9.81826

6

NPC148409

− 9.8013

7

NPC45400

− 9.74282

8

NPC245014

− 9.62971

9

NPC265454

− 9.58556

10

NPC252590

− 9.55989

11

NPC307938

− 9.53453

12

NPC308931

− 9.4984

13

NPC214729

− 9.43665

14

NPC124300

− 9.41008

15

NPC314573

− 9.37501

16

NPC119767

− 9.36645

17

NPC263940

− 9.26997

18

NPC18185

− 9.19354

19

NPC298778

− 9.18163

20

NPC154741

− 9.12232

Standard

UDP_GlcNAc

− 6.29873

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