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Table 2 Protein-ligand docking results from HEX server, docked energies obtained from protein-ligand docking of Mala s1 allergen of Malassezia spp. with β-Sitosterol

From: Exploration of anti-Malassezia potential of Nyctanthes arbor-tristis L. and their application to combat the infection caused by Mala s1 a novel allergen

Receptor protein

Ligand

Cluster

Solution

Etotal

Mala s1

β-Sitosterol

1

1

−283.1

  

2

1

−239.7

  

3

1

−229.8

  

4

1

−223.6

  

5

1

−219.7

  

6

1

−216.1

  

7

1

−213.2

  

8

1

−210.7

  

9

1

−208.4

  

10

1

−206.1