Wira Eka Putra, Viol Dhea Kharisma, Hendra Susanto
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 inhibitor of nuclear factor kappa-B kinase subunit beta (IKK-B). Thus, in this study, we aimed 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 structures of bioactive compounds from Zingiber officinale and protein structure of IKK-B 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 be potential as drug like molecule for anti-inflammation compared to other compounds. Importantly, further study is needed to evaluate the biological mechanism of 6-Shogaol inhibit the IKK-B activity. © 2020 American Institute of Physics Inc.. All rights reserved.
Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Negeri Malang, Jl. Semarang 5, Malang, 65145, Indonesia; Division of Genetics and Molecular Biology, Generasi Biologi Indonesia (Genbinesia) Foundation, Indonesia; Department of Biology, Faculty of Mathematics and Natural Sciences, Brawijaya University, Indonesia
