Many plants from the genus Alpinia are known to have several bioactive compounds that can act as an antitumor in cancer treatments. However, the potency of the bioactive compounds from red ginger as an antitumor agent has not been reported before. This research aims to study the inhibitory activity of several red ginger bioactive compounds against antitumor AKT1 protein through in-silico analysis. In this study, four identified bioactive compounds namely rutin, sitosteryl 3-O-6-palmytoil-β-d-glucoside, kumatakenin, kaempferol-3-o-glucuronide were used as a ligand for molecular interactions. The 3D structure of targetted protein AKT1 (PDB ID: 3O96) was obtained from the PDB database. [6]-shogaol, an antiproliferative and AKT1 inhibitor, was used as a control. In-silico docking analysis is performed in PyRx with the AutoDock Vina program. All bioactive compounds used in this experiment demonstrated good antitumor activity by binding to the inhibitor site of AKT1 protein. Rutin displayed the best potency as an inhibitor to AKT1 with the optimum binding energy of -11,3 kcal/mol as compared to control with -7,4 kcal/mol. These results suggest that bioactive compounds from red ginger may have the potency as an antitumor and can be developed to treat cancer.
Background: Mumps virus (MuV) can trigger severe infections, such as parotitis, epididymo-orchitis, and meningitis. The effectiveness of MuV vaccine administration has been proven, but current outbreaks warrant the development of antivirals against MuV. Zingiber officinale var. Roscoe or ginger is often used as an alternative remedy. Currently, there are no known in vitro or in vivo studies that investigate ginger as an MuV antiviral. Purpose: This study aims to evaluate the antiviral potency of the bioactive compounds in Zingiber officinale var. Roscoe against MuV. Methods: Antiviral activity screening was conducted by druglikeness analysis, antiviral probability, molecular docking, and molecular dynamic simulation. Results: As an antiviral, 6-shogaol from Zingiber officinale var. Roscoe has potency against MuV. It has a good binding affinity and can establish interactions with the binding domain of the target protein by forming hydrogen, Van der Waals, and alkyl bonds. Conclusion: The complex of 6-shogaol_NP was predicted to be volatile but stable for triggering inhibitory activity. However, these results must be proved by in vivo and in vitro approaches to strengthen the scientific evidence.
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