Inhibitory Compounds Identification from Zingiber officinale against the IKK-B as Anti-inflammation Drug
Wira Eka Putra1, Viol Dhea Kharisma2,3, Hendra Susanto1*
1Departement of Biology, Faculty of Mathematic and Natural Sciences, Universitas Negeri Malang
2Departement of Biology, Faculty of Mathematic and Natural Sciences, Universitas Brawijaya
3Division of Genetics and Molecular Biology, Yayasan Generasi Biologi Indonesia (Genbinesia)
*Corresponding Email: hendrabio[at]um.ac.id
Abstract
Nuclear factor kappa B (NF-κB) is known as master of regulation due to its multiple roles in biological system including metabolism, inflammation, or even diseases like cancer. The downstream phosphorylation of NF-κB complex is affected by the activity of IKK-B. Thus, in this study we aims to evaluate the bioactive compounds of Zingeber officinale as inhibitor agent against the IKK-B. The virtual screening evaluation was based on the interaction activity and binding free energy among the protein and the ligands. The virtual chemical structure and protein structure were obtained from pubchem web server and PDB respectively. Molecular docking, visualization, and data analysis were performed by computation approach. In this study, we found that 6-Shogaol might potential as drug like molecule for anti-inflammation compared to other compounds. Importantly, further study needed to evaluate the biological mechanism of 6-Shogaol inhibit the IKK-B activity.
Keywords: Anti-inflammation, IKKB, virtual screening, Zingiber officinale
Topic: Bioinformatics