Sample preparationThe bioactive components found in purslane are apigenin, isorhamnetin, and luteolin. Meanwhile, star anise has shikimic acid, illicinole, and illicinone A. Data were provided by PubChem. Furthermore, non-structural target protein databases TMPRSS2 and PLpro were obtained from RSCB PDB.
Sample preparationThe components of the bioactive ligands found in juwet and moringa are gallic acid (CID: 370), ellagic acid (CID: 5281855), corilagin (CID: 73568), moringyne (CID: 131751186), myricetin (CID: 5281672), chlorogenic acid (CID: 1794427), vitexin (CID: 5280441), and nirmatrelvir (CID: 155903259) as a control. Ligand structure data were obtained
Computational study of natural indigo has been carried out to get the optimized structure and electronic properties of two indigo at different pH. It has been found that indigo has the potential to be applied as active material in the dye-sensitized solar cell. Computational calculations are performed using Density Functional Theory (DFT) with B3LYP functional and 6-31G(d,p) for ground state geometry optimization and Time Dependent-Density Functional Theory (TD-DFT) for excited states single point calculation. All calculations are carried out in the gas phase. Geometry optimization results show that Indigo has a planar structure, whereas leuco-indigo structure is not planar. Leuco-indigo absorption wavelength is shorter than indigo. The density of HOMO and LUMO is spreading throughout the molecule. The density of electrons at LUMO extends to the anchoring group. Based on excitation energy, absorption wavelength, excitation composition, and HOMO-LUMO density, it can be concluded that indigo has the potential to be applied in dye-sensitized solar cell (DSSC)
Aeroplysinin-1 is naturally found from marine sponges as an anti-bacterial compound. Computational calculation and molecular docking were performed for aeroplysinin. Aeroplysinin as an inhibitor has optimized in the gas phase using DFT with 6-31G(d) functional. The structure from geometry optimization of aeroplysinin-1is, not in one plane. The interaction of aeroplysinin-1 with two different DNA gyrase from E. Coli and S. Aureus. In this research,aeroplysinin-1 can inhibit the protein with the free binding energy of about -5.7 kcal/mol and -6.35 kcal/mol, respectively, for E. Coli and S. Aureus. The dominant molecular interaction is the hydrogen bond.
Virgin coconut oil (VCO) is one of the processed products from coconuts that has high economic value. This economic value is triggered by the benefits of VCO. The people of Oma Village are located on the coast of Haruku Island which is very overgrown with coconut plants. The abundance of coconut plants has not been maximally utilized by the Oma village community. This problem prompted training to make VCO for the Oma village community, Haruku Island. This community service is carried out based on counseling and training on making VCO to the Oma Village community. Counseling was carried out to convey about VCO, the benefits of VCO and how to make VCO. The training is carried out by demonstrating/demonstrating the procedure for making VCO and providing tools and materials to partners to be able to produce VCO independently. The results of VCO products from the Oma Village community are reported to the service team and used as an indicator of the success of the VCO making training. The results obtained provide information that this product is a product that can be cultivated by the Oma village community as an opportunity to improve their economy.
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