A Bioinformatics Research of Active Compounds Curcuma xanthorriza in Arthritis Disease

Abstract

Curcuma xanthorriza roxb. or commonly known as ginger is a plant that grows in the tropics which is known as a million benefits plant, one of which is for the treatment of Arthritis. The main active compounds that act as anti-inflammatory which refer to arthritis are curcumin and demethoxycurcumin. The purpose of this study was to analyze the active compounds contained in ginger which play an important role in the treatment of arthritis. Bioinformatics analysis was carried out using the ChemOffice 2016 software using the molecular mechanics method. The 2-dimensional structure analysis uses the ChemDraw program, while the 3-dimensional structure analysis uses the Chem3D program. From the data optimization results using the molecular mechanics method, the following results are obtained: The total energy produced in the compounds curcumin, d-camphor, demethoxycurcumin, p-tolymethilcarbinol, starch, respectively 17.4573 kcal / mol; 29,2006 kcal / mol; 13.8948 kcal / mol; -0.6574 kcal / mol; and 29,6089 kcal / mol. Based on the research data obtained, it can be concluded that the active compounds curcumin and demethoxycurcumin are compounds that act as anti-inflammatory triggers for arthritis. It is proven that the results of the MM2 method are in accordance with the related theory.

Keyword: curcuma, anti-inflammatory, molecular mechanics, curcumin, demethoxycurcumin..

Keywords: Anti-inflammatory; Curcuma; Curcumin, Demethoxycurcumin; Molecular mechanics