Context: Aging is closely related to reactive oxygen species (ROS). ROS increases the collagenase enzyme (MMP-1) levels and collagen degradation that causes skin wrinkling. Secang wood (Caesalpinia sappan L.) containing brazilin and brazilein has been shown to have photoprotective and antioxidant properties. Aims: To evaluate the activity of C. sappan nanoemulgel as antiaging agent against the target protein, matrix metalloproteinases (MMPs), especially MMP-1, MMP-3, and MMP-9 by in silico assay and using in vivo assay through MMP-1 and collagen expression parameter. Methods: C. sappan nanoemulgel was made by mixing the gel base with C. sappan nanoemulsion from heartwood extract. The C. sappan nanoemulsion was formulated using the Self Nanoemulsifying Drug Delivery System method. In vivo testing was conducted with a post-test-only control group design and used male Wistar rats. MMP-1 expression was examined using immunohistochemical techniques, and the amount of dermal collagen was observed with Picro Sirius Red staining. In silico assay using a computational method with Autodock 4.2 program. Results: C. sappan nanoemulgel concentrations of 0.0625, 0.125, and 0.25% obstruct the expression of MMP-1 and collagen degradation. The bond energy value to MMP-1, MMP-3, and MMP-9 were -8.04, -10.40, and -8.70 kcal/mol (for brazilin); -8.82; -10.99, and -8.51 kcal/mol (for brazilein). Conclusions: Nanoemulgel containing C. sappan nanoemulsion has a potential activity as an antiaging agent by repressing MMP-1 expression and dermal collagen degradation. C. sappan nanoemulgel 0.25% showed the best result as antiaging. Brazilin and brazilein from C. sappan inhibit the MMP-1, MMP-3, and MMP-9 by in silico assay.

COVID-19 infection induces inflammation by increasing cytokines such as IL-1b, IL-6, IL-18, IFN-γ, and TNF-α. IL-1b is generated by the involvement of caspase-1. Therefore, caspase-1 inhibitor can be potential for inflammation therapy caused by COVID-19 infection. This study aims to determine the potential of blumeatin and luteolin as anti-inflammatory agents by inhibiting caspase-1 using a molecular docking approach. This study was carried out by caspase-1 (PDB ID: 1RWK) preparation, blumeatin and luteolin structure optimization, docking protocol validation, and docking of blumeatin and luteolin on caspase-1. Bluematin and luteolin had a binding affinity of -5,63 kcal/mol and -5,93 kcal/mol, lower than Q158 native ligand (-3.92 kcal/mol). Similar amino acid residues in hydrogen bonds interaction were observed between Q158 native ligand, blumeatin, and luteolin with caspase-1 (GLN 283 and ARG 179). Blumeatin and luteolin are potentially anti-inflammation agents through the inhibition of the caspase-1 in silico.

HER-2 overexpression is present in approximately 20% of breast cancer. This research aims to study the interactions of α-humulene to HER-2 protein by using in silico molecular docking. The experiment was carried out by HER-2 protein preparation (PDB ID 3PP0), docking validation, α-humulene optimization, and α-humulene docking. The results showed that α-humulene had binding energy of -7.50 kcal/mol, Van der Waals binding energy of -7.48 kcal/mol, and electrostatic energy of -0.02 kcal/mol. α-Humulene is potential as anti-breast cancer towards HER-2 in silico.