Anti-Inflammatory Activity of Quts Al-Hindi Extract (Saussurea Lappa) Using Erythrocyte Membrane Stability and Prediction of Its Selectivity for COX-2 and INOS Enzymes
Abstract
An immune system reaction known as inflammation can damage tissue by rupturing mast cells, followed by released inflammatory mediators such as nitric oxide (NO) and increased prostaglandin secretion by cyclooxygenase proteins. One of the prospective plants that contain several bioactive components applied in medication development, such as anti-inflammatory agents, is Quts al Hindi (Saussurea lappa). At the moment, the use of natural products as anti-inflammatory agents is being developed. With the help of the erythrocyte membrane stability method and in silico analysis, this study aims to determine the anti-inflammatory effectiveness of the root extract of Saussurea lappa. The methods of determining the anti-inflammatory activity involved determining the stability of the erythrocyte membrane by determining the drug’s ability to prevent red blood cell lysis caused by the induction of a hypotonic solution contrasted with the positive control of diclofenac sodium. The Poisson–Boltzmann molecular mechanics calculation technique and surface area (MM-PBSA) were used to simulate docking and molecular dynamics. The results showed that the activities of extracts at doses of 125, 100, 75, 50, and 25 ppm were 91.55%, 90.64%, 89.44%, 87.98%, and 84.85%, respectively, compared with diclofenac sodium as a positive control at the same concentration, which was 85.67%, 84.60%, 83.02%, 82.30%, and 81.71%, respectively. The results of molecular docking and molecular dynamic simulations of ten compounds of Saussurea lappa showed that cosmic acid and costunolide are more selective into the active site of COX-2 than the iNOS enzyme, with free energy (ΔG) values were -9.6 and -9.4 and 7.2 and 7.1 kcal/mol, respectively. The novelty of this study is the anti-inflammatory activity of Saussurea lappa compounds obtained by interaction mechanisms and molecular dynamics against COX-2 and iNOS using the erythrocyte membrane stability method.
Keywords: anti-inflammatory, Quts Al Hindi, membrane stabilization.
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