Molecular docking of beta-sitosterol with COX-1 and COX-2

Cyclooxygenase (COX) is known as prostaglandin endoperoxide synthase, which responsible in converting arachidonic acid to prostaglandins. COX-1 protects stomach from acid and digestive chemicals while COX-2 plays major role in inflammation via binding to arachidonic acid. Inhibition of COX-1 reduces the inflammation, but causes the loss of protection in stomach lining. Whereas there is much less gastric irritation associated with COX-2 inhibition. Inhibition of COX-1 causes undesirable side effects rather than COX-2. This experiment is conducted to identify the potential of beta-sitosterol in reducing inflammation by inhibiting cyclooxygenase enzymes via molecular docking using Autodock Vina. The purpose of this study to identify the potential of beta-sitosterol to bind to COX-2 more than COX- 1. Molecular docking studies revealed that beta-sitosterol has lower binding affinity with COX-2 compared with COX-1 which are -10.1 and -9.1 respectively. The best dock score refers to lowest binding affinity obtained. Molecular docking studies reported that beta-sitosterol was found to treat the inflammation that caused by COX-2 without any undesirable effects within the body.