Soursop leaves (Annona muricata Linn.) as an anti-inflammatory substance: an in silico study
Damayanti Dini Sri , Firdaus R.S, Hanum S

Universitas Islam Malang

Abstract

Soursop leaves (Annona muricata Linn.) as an anti-inflammatory substance: an in silico study Damayanti D.S, Firdaus R.S, Hanum S. Faculty of Medicine, Islamic University of Malang dinisridamayanti@unisma.ac.id Googlescholar ID: E3KD1GEAAAAJ ABSTRACT Soursop leaf essential oils and ethanol extract are known to have anti-inflammatory effects, but it is unclear how these effects work. This study aims to analyze the anti-inflammatory potential of soursop leaf essential oils and ethanol extract by the inhibition of COX-1 (Cyclooxygenase-1) and COX-2 (Cyclooxygenase-2) using an in silico study. Molecular docking between the active ingredients of soursop leaf (Annona muricata Linn) essential oils and ethanol extract against the target protein (COX-1 and COX-2) was done computationally. We measured free bond energy (ΔG) and hydrogen bonds on the amino acid residues. Inhibition potential was indicated by low free bonding energy and the presence of hydrogen bonds on the same amino acid, compared to the control, indomethacin. β-caryophyllene, trans-caryophyllene and linalool were predicted to have a weak potential to inhibit the COX-1 protein, in a manner similar to the control. Linolool was predicted to have the ability to inhibit COX-2, in a manner that was almost the same as the control. Rutin, nicotiflorin and quercetin had a weak potential to inhibit the COX-1 protein. Anonaine had the ability to inhibit the COX-2 protein in a manner close to that of the control. In conclusion, soursop leaf essential oils and ethanol extracts have a weaker ability to inhibit COX-1, but have the capability to control and inhbit COX-2.

Keywords: Annona muricata Linn., COX-1 enzyme, COX-2 enzyme

Topic: Bioinformatics

Link: https://ifory.id/abstract-plain/8Qv3VYXgUkZE

Web Format | Corresponding Author (Dini Sri Damayanti Damayanti)