Wira Eka Putra, Sustiprijatno, Wa Ode Salma, Diana Widiastuti
Chronic inflammatory diseases are serious health problems worldwide. Furthermore, this entity leads to several types of diseases, including cancer, cardiovascular diseases, autoimmune diseases, and diabetes. Many modalities have been proposed to ameliorate chronic inflammatory diseases, including the use of traditional medicine. Recently, the use of herbs as traditional medicine becomes popular in all aspects of society. One of the most plants that are widely used is Morinda officinalis. Importantly, M. officinalis exerts its medical properties in multiple biological activities, including anti-cancer, anti-inflammatory, and even cardiovascular activity. Thus, in this study, we aimed to evaluate the bioactive compounds of M. officinalis through in silico approach as an inhibitor of interleukin-1/interleukin-1 receptor (IL-1/IL-1R) interaction to ameliorate the chronic inflammatory diseases. Molecular docking was used as prediction methods of interaction between the ligands and target protein. In this present study, we found three compounds, namely 1,2-dihydroxy-3-methylanthraquinone, rubiadin, and rubiadin-1-methyl ether, the greatest score of binding affinity (-7.6 kcal/mol) to the target protein. Data visualization also showed a similar interaction pattern, which ensures they have similar binding areas in the target protein, the IL-1R. Therefore, this prediction suggested that these three compounds might provide potential as an inhibitor against the IL-1R. Further research needs to be done to clarify and explore more details about the biological activity of these compounds, especially in chronic inflammatory diseases. © 2021 Malaysian Society for Biochemistry and Molecular Biology. All rights reserved.
Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Negeri Malang, East Java, Indonesia; Department of Biotechnology, Faculty of Mathematics and Natural Sciences, Universitas Negeri Malang, East Java, Indonesia; Indonesian Center for Agricultural Biotechnology and Genetic Resources Research and Development, West Java, Indonesia; Department of Nutrition, Faculty of Public Health, Halu Oleo University, Indonesia; Departmentof Chemistry, Faculty of Mathematics and Natural Science, Universitas Pakuan, West Java, Indonesia
