Side effect of conventional cancer terapy has driven researches to find alternative therapy. People in the province of West Nusa Tenggara, especially the Sasak tribe, perform medical treatments that refer to the traditional Lontar Usada manuscript. One of the plants mentioned in this manuscript was jamblang plant (Syzygium cumini). This study aims to explore and determine the potential of S. cumini leaves extract as an anti-cervical cancer. Extraction was carried out by the Soxhlet method using ethyl acetate, methanol, and water as solvents. The extract obtained was tested for Thin Layer Chromatography (TLC), FTIR test, and cytotoxicity test for the MTT method using HeLa cells. TLC exhibited that the extract contain phenol and flavonoid. FTIR analyzed that the extract had functional groups O-H phenols, C-H alkanes, C=C alkenes, C=0 ketone, C=C aromatic ring, NO2 nitro compound, and C=C alkenes. Total phenolic content and total flavonoid content of ethyl acetate, methanolic and water extract were 443.80 + 0.33; 305.80 + 0.28; and 45.80 + 0.11 mg GAE / g, and 74 + 0.12; 70 + 0.28; and 34 + 0.21 mg QE / g. Ethyl acetate extract showed highest cytotoxicity with IC50 value 330.50 + 1.59, followed by methanol extract 378.35 + 2.84 and water extract 3608.84 + 0.85.
Dental caries is an oral disease that still shows high prevalence in the world. Streptococcus mutans as the main cariesrelated bacterium uses some features to exhibit its role as a cariogenic bacterium. It majorly can be classified into dependent and independent sucrose proteins. One natural source gaining interest regarding its potential to inhibit S. mutans activity is propolis. However, research has attempted to evaluate the potential inhibitor from propolis to cariesrelated protein S. mutans through an in silico approach. Therefore, this research aims to evaluate the compounds in propolis that have high activity to inhibit glucosyltransferase and antigen I/II using an in silico method. Among 93 compounds from propolis screening, diosmetin, cosmosiin, genistin, and 3′-methoxy-5′-hydroxyisoflavone-7-O-β-D glucoside showed as the best candidate. These potential ligands exhibited high docking stability with the conserved amino acid residue and low dynamics fluctuation. Therefore, this research can provide further insight into dental caries drug development.
The coronavirus disease 2019 outbreak has become a huge challenge in the human sector for the past two years. The coronavirus is capable of mutating at a higher rate than other viruses. Thus, an approach for creating an effective vaccine is still needed to induce antibodies against multiple variants with lower side effects. Currently, there is a lack of research on designing a multiepitope of the COVID-19 spike protein for the Indonesian population with comprehensive immunoinformatic analysis. Therefore, this study aimed to design a multiepitope-based vaccine for the Indonesian population using an immunoinformatic approach. This study was conducted using the SARS-CoV-2 spike glycoprotein sequences from Indonesia that were retrieved from the GISAID database. Three SARS-CoV-2 sequences, with IDs of EIJK-61453, UGM0002, and B.1.1.7 were selected. The CD8+ cytotoxic T-cell lymphocyte (CTL) epitope, CD4+ helper T lymphocyte (HTL) epitope, B-cell epitope, and IFN-γ production were predicted. After modeling the vaccines, molecular docking, molecular dynamics, in silico immune simulations, and plasmid vector design were performed. The designed vaccine is antigenic, non-allergenic, non-toxic, capable of inducing IFN-γ with a population reach of 86.29% in Indonesia, and has good stability during molecular dynamics and immune simulation. Hence, this vaccine model is recommended to be investigated for further study.
Propolis contains a wide range of pharmacological activities because of their various bioactive compounds. The beneficial effect of propolis is interesting for treating type-2 diabetes mellitus (T2DM) owing to dysregulation of multiple metabolic processes. In this study, 275 of 658 Asian propolis compounds were evaluated as potential anti-T2DM agents using the DIA-DB web server towards 18 known anti-diabetes protein targets. More than 20% of all compounds could bind to more than five diabetes targets with high binding affinity (<−9.0 kcal/mol). Filtering with physicochemical and pharmacokinetic properties, including ADMET parameters, 12 compounds were identified as potential anti-T2DM with favorable ADMET properties. Six of those compounds, (2R)-7,4′-dihydroxy-5-methoxy-8-methylflavone; (RR)-(+)-3′-senecioylkhellactone; 2′,4′,6′-trihydroxy chalcone; alpinetin; pinobanksin-3-O-butyrate; and pinocembrin-5-methyl ether were first reported as anti-T2DM agents. We identified the significant T2DM targets of Asian propolis, namely retinol-binding protein-4 (RBP4) and aldose reductase (AKR1B1) that have important roles in insulin sensitivity and diabetes complication, respectively. Molecular dynamic simulations showed stable interaction of selected propolis compounds in the active site of RBP4 and AKR1B1. These findings suggest that Asian propolis compound may be effective for treatment of T2DM by targeting RBP4 and AKR1B1.
Objective: Hypertension is the leading contributor to all-cause death and disability worldwide. One of the most well-known first-line antihypertensive drugs is chlorthalidone which treats hypertension through carbonic anhydrase (CA) II inhibition. However, due to the high number of cases of hypertension, a more potent medication is still needed. Xanthone is a potential candidate for the compound group for its potency in inhibiting CA II. Therefore, this research aims to evaluate around 500 xanthones’ potency as a better oral antihypertensive drug than chlorthalidone. Methods: 507 xanthones were analyzed for their potency using in silico method. Xanthone’s structures were retrieved from the PubChem website or built using Avogadro software, while the CA II receptor was retrieved from The RCSB website. Then molecular docking, ADME evaluation, and toxicity test were evaluated from selected ligands. Finally, a molecular dynamics simulation was conducted to evaluate the stability of the potential ligand as the inhibitor of CA II protein. Results: This research found that globulixanthone c is considered to be a better CA II inhibitor compared to chlorthalidone. It is due to its lower binding affinity compared to chlorthalidone and its stable binding to CA II’s important inhibition sites with low fluctuation. It also has the potential to be consumed orally because it fulfills all of Lipinski's rule of five standards and its toxicity is on the moderate level. Conclusion: Globulixanthone c, a type of prenylated xanthones group, showed the best potential activity as the inhibitor of CA II protein to treat hypertension among other xanthones.
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