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Table 5 Various intermolecular interactions of prioritized lead candidates and control molecule towards MurM

From: Discovery of potential natural therapeutics targeting cell wall biosynthesis in multidrug-resistant Enterococcus faecalis: a computational perspective

S. No

Ligands ID

HB

D(Ã…)

Pi-SR

D(Ã…)

vdWISR

1.

CNP0056520

Ile313,

Leu314

2.39,

2.85

Trp31,

Ala316

4.77,

5.37

Leu26, Lys35, Gln153,

Pro154, Tyr219, Glu312,

Tyr315, Trp332, Met349,

Gly 350, Gly 351, Leu 360

2.

CNP0126952

Leu314

2.73

Leu26

Tyr315

4.01,

4.59, 5.30

Trp31, Lys35, Leu214, Tyr219, Ile313, Ala316, Trp332, Met349, Gly350, Gly351,Lys360, Lys364

3.

CNP0248480

Gly351

2.98

Leu214

Tyr315

Ala316

Trp332

4.79

4.67

3.53

4.79

Trp31, Met148, Gln153, Pro154, Ile212, Ser213,

Glu312, Ile313, Leu314,

Met349, Glu350, Leu360, Lys364

4.

Control

(Deoxyribofuranosephosphonate)

Asn37,

Lys60

2.76,

3.07

Lys35,

Trp38

4.28,

4.56

Pro61,Arg215,Tyr219