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Table 4 The total docking binding energy score for each docked enzyme-ligand complex

From: Integrated in vivo and in silico evaluation of sweet basil oil as a protective agent against cisplatin-induced neurotoxicity in mice

 

Name of ligand

Binding energy (kcal/mol)

Catalase

Gamma-terpinene

− 6.6

 

Methyl Chavicol

− 6.2

 

Cis-linalool oxide

− 6.2

 

Eugenol

− 6.1

 

Linalool

− 6.1

 

Trans-linalool oxide

− 5.7

 

α – Pinene

− 5.5

 

Noctanol

− 4.9

Bid

Cis-linalool oxide

− 5.2

 

Eugenol

− 5

 

α – Pinene

− 5

 

Gamma-terpinene

− 5

 

Trans-linalooloxide

− 4.9

 

Methyl Chavicol

− 4.8

 

Linalool

− 4.7

 

Noctanol

− 4.1

Caspase-3

Eugenol

− 5.2

 

Gamma-terpinene

− 5.2

 

Methyl Chavicol

− 5

 

α – Pinene

− 5

 

Cis-linalool oxide

− 4.9

 

Trans-linalool oxide

− 4.9

 

Linalool

− 4.5

 

Noctanol

− 4.1

Acetylcholinesterase

Eugenol

− 6.6

 

Gamma-terpinene

− 6.5

 

α – Pinene

− 6.3

 

Cis-linalool oxide

− 6.2

 

Trans-linalool oxide

− 6.1

 

Methyl Chavicol

− 5.9

 

Linalool

− 5.6

 

Noctanol

− 5