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Table 2 Compounds from Syzygium cumini having high affinity for macromolecules from Bacillus subtilis

From: Antimicrobial action of methanolic seed extracts of Syzygium cumini Linn. on Bacillus subtilis

S. no

Compound

Macromolecules from B. subtilis

Binding energy

Hydrogen bonds

Bond length (Å)

1

Lupeol

1W5D

− 8.48

Glu244

2.20

2

Stigmasterol

3MFD

− 9.34

Lys180

2.50

Lys176

2.51

Gly41

2.05

Ala42

2.86

3

Lupeol

4OX3

− 8.37

Val270

2.17

4

Betasitosterol

5E2F

− 6.42

GLU139

1.76

GLU139

2.88