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Chemical and Biological Technologies in Agriculture

Table 5 RMSD scores of best docking complexes

From: Pharmacophore study, molecular docking and molecular dynamic simulation of virgin coconut oil derivatives as anti-inflammatory agent against COX-2

Complex

Average

Standard deviation

Minimum

Maximum

Redock score

Monolaurin

1.137

0.153

0.480

1.520

− 4.87

Monocaprylin

1.206

0.134

0.501

1.483

− 4.45

Aspirin

1.204

0.138

0.548

1.526

− 7.37

Paracetamol

1.220

0.149

0.501

1.535

− 5.57

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