Wira Eka Putra, Wa Ode Salma, Diana Widiastuti
Metastasis is hallmark of the cancer. Recently, targeting molecules that are responsible in promoting metastasis might be one of favorable strategies. In this study, we aimed to evaluate bioactive compounds of Kaempferia pandurata rhizome as anti-metastasis against NF-κB. Molecular docking and molecular interaction among ligands and target protein were applied in this study. Importantly, we found the greatest substances which might possible to become inhibitor to NF-κB. Boesenbergin A and B were predicted to have the favorable interaction scores, -8.2 kcal/mol and -7.1 kcal/mol, respectively. More detail, boesenbergin A has certain interaction to residual amino acids such as GLU160, ASP121, THR153, SER113, LYS149, VAL145, HIS144, THR146, TYR60, ALA62, VAL61, HIS112, ALA111, LEU143, ALA156, ARG157. While the boesenbergin B has interaction to residual amino acids such as SER249, PHE310, LEU272, VAL254, HIS307, ARG308, ALA311, ASP274, CYS273, LYS275, LYS244. In the future, further research is necessary to confirm and validate the biological activities of boesenbergin A and B, especially in metastasis incidence. © 2020 Malaysian Society for Biochemistry and Molecular Biology. All rights reserved.
Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Negeri Malang, Indonesia; Department of Biotechnology, Faculty of Mathematics and Natural Sciences, Universitas Negeri Malang, Indonesia; Department of Nutrition, Faculty of Public Health, Halu Oleo University, Indonesia; Department of Chemistry, Faculty of Mathematics and Natural Science, Universitas Pakuan, Indonesia
