Indo. J. Chem. Res.
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Screening Emodin Derivatives as DPP-4 Inhibitor Candidates: In Silico and In Vitro Assessment
Diabetes mellitus (DM) is a chronic metabolic disease distinguished by disrupted glucose metabolism, causing elevated blood sugar levels. One of the latest therapeutic strategies involves inhibiting dipeptidyl peptidase-4 (DPP-4) to regulate glucose metabolism. Emodin, a bioactive compound, has shown potential as a DPP-4 inhibitor, but its efficacy requires further research. This study aims to identify and assess emodin and its derivatives as potential DPP-4 inhibitors through a comprehensive in silico and in vitro analysis. Molecular docking analysis revealed that 3-ρ-toluoyl emodin (ρTE) had the lowest binding energy (-111.4 kcal/mol) among the tested compounds. Furthermore, in vitro testing showed consistent results in silico, indicating that ρTE had significant inhibitory activity with an IC50 value of 1.37 μM. Pharmacokinetic and physicochemical evaluations confirmed ρTE’s potential as a safe antidiabetic drug candidate. The research findings indicate that ρTE holds potential as a promising drug candidate for further development
Synthesis of Asymmetric Curcumin Analogue (2,6)-2-(3-bromo-4-methoxybenzylidine)-6-(3,4-dimethoxybenzylidine)cyclohexanone with a Base Catalyst
Curcumin analogs are phenolic secondary metabolites that are more stable than curcumin because they do not contain active methylene groups. Generally, these compounds have a symmetric structure, while asymmetric curcumin analogs with higher frequency and potency are rarely synthesized. This study aimed to synthesize asymmetric curcumin analogs from 2-(3,4-dimethoxybenzylidene)cyclohexanone and bromoanisaldehyde. The synthesis was conducted using the Claisen-Schmidt condensation method with a base catalyst in ethanol at 25 °C for 12 hours. The intermediate compound available in the laboratory was characterized using GC-MS, showing a molecular ion (M⁺) at m/z 246. Meanwhile, bromoanisaldehyde was characterized by GC-MS and FT-IR, yielding a molecular ion at m/z 215 and a C–Br stretching vibration peak at 812 cm⁻¹. The study yielded a yellow solid weighing 0.13 g (yield percentage: 2.93%) with a melting point of 143-147 °C. UV-Vis, FT-IR, and HR-MS analysis confirmed the successful synthesis and characterization of the asymmetric curcumin analog, as evidenced by the molecular ion (M⁺) at m/z 443.06274 in the HR-MS spectrum. However, further analysis, such as ¹H-NMR and ¹³C-NMR, is needed to confirm the structure of the compound. Furthermore, research related to bioactivity testing is crucial for obtaining more stable and effective drug candidates
Chemical Constituent and Antioxidant Activity of Clove (Syzygium aromaticum) Bud and Leaf Essential Oils from Bali
Bali is one of clove (Syzygium aromaticum) producers in Indonesia. Clove essential oil is mainly produced from the leaves and flowers. Eugenol is the main component in the essential oil of clove. The objective of this research is to determine constituents and antioxidant activity of clove’s bud and leaf essential oils from Bali. The essential oils were isolated from clove’s bud and leaf samples by steam distillation with the yield of 12.90 and 2.63%. The constituents of the clove essential oils were analyzed by using gas chromatography-mass spectrometry (GC-MS). Thirty-six and twenty-nine constituents were identified based on GC-MS from the clove bud and leaf essential oils, respectively. Major classes of compounds are sesquiterpenes, phenyl propanoids, oxygenated sesquiterpenes, and esters. Different compositions in major constituents were found between both essential oils. Clove bud essential oil (CBEO) contained eugenol (65.29 %), trans-caryophyllene (20.06 %), and α-humulene (3.38 %). While, in clove’s leaf essential oil (CLEO), the composition was eugenol (64.47 %), trans-caryophyllene (27.19 %), and α-humulene (3.62 %). The clove essential oil and its main component show strong antioxidant activity. The antioxidant activity of CBEO, CLEO, and eugenol is 22.58, 29.19, and 17.53 μg/mL, respectively
The Potential for On-Site Determination of Mn(II) using Eco-Friendly Natural Tannins: A Cost-Effective and Sustainable Approach
This study exploited digital image colourimetry (DIC) with natural tannin as a reagent to determine Mn(II) in aqueous media. The calibration curve had a correlation coefficient of 0.995, indicating a strong dependence of absorbance on Mn(II) concentration. Although the spectrophotometry method with NaIO4 as a reagent showed better results, the DIC method remained within an acceptable range. Both methods showed insignificant difference in measurement average and variance. Common cations in natural water interfered with Mn(II) detection at a tolerance of less than 5% except for Fe(III), which can be easily precipitated before Mn(II) analysis. The DIC method applied to three water samples showed acceptable recovery, offering an easy and inexpensive on site Mn(II) determination
Utilization of Tamarind Seeds Extract as a Natural and Sustainable Fabric Dye
This research focuses on the use of tannin components in tamarind seed coats as a mordant and natural dye in cotton fabrics. Tannins were extracted from the tamarind seed coat by boiling method and then the tannin content was determined. The tannin extract was then used as a natural mordant with the addition of metallic copper sulfate (CuSO4) mordant. Tannin extract is also used as a dye on fabrics with the addition of sodium sulfate (NaSO4). The color strength of the tannins in the fabric was analyzed using a spectrophotometer from the rinse water. The results showed that the cloth that had been given the mordant had a stronger color strength than the cloth without the mordant. The use of mordant was varied at concentrations of 5, 10, 15, 20, and 25%-owf. The results of the analysis showed the most optimum tannin concentration at 15%-owf. The concentration of tannin used in the coloring process was also varied at concentrations of 5, 10, 15, 20, and 25%-owf. The results of the analysis show that the concentration of tannin used in the dye does not affect the strength of the color, but only affects the brightness of this color
Synthesis And Characterization Of Silver Nanoparticles Using Gandaria (Bouea macrophylla Griff.) Seed Extract As Bioreductor And Ouw Natural Clay (ONC) As Matrix
The synthesis of silver nanoparticles (AgNP) was achieved by utilizing gandaria seed extract as a bioreductant and Ouw natural clay (ONC) as a matrix. An investigation was conducted on the volume of a silver nitrate solution with a concentration of 1 x 10-3 M, which served as a precursor. The silver nanoparticles were analyzed using UV-Vis spectroscopy to assess their surface plasmon resonance (SPR) and stability. The results indicate that the SPR of silver nanoparticles occurs at a wavelength range of 432-450 nm. X-ray diffraction (XRD) was also employed for characterization purposes to ascertain the existence of silver nanoparticles that were generated within the ONC matrix. The XRD characterization data indicate that the Ag/ONC nanocomposite achieved the maximum stability and nanoparticle content when a volume of 500 mL of AgNO3 0.1 M (S5) was added. The mean crystal size of the silver nanoparticles generated is 48.48 nm, with a crystal orientation of both BCC (Body-Centered Cubic) and FCC (Face-Centered Cubic)
Structural and Molecular Dynamics Investigation of Bacterial and Fungal Xylanases
Xylanase is a type of enzyme that hydrolyzed of β-1,4 glycosidic bonds in xylan, breaking it down into its constituent monomers. Xylanolytic enzymes are pivotal in processes such as bio-bleaching of pulp, textile manufacturing, and the recycling of waste paper. Successful bioconversion of xylan or lignocellulose relies on the collaborative action of various xylanolytic enzymes, including endo-xylanase, β-xylosidase, and other accessory enzymes. Docking simulations using Auto Dock 4.2 were conducted to analyze the interaction between ligands and xylanase, utilizing PDB 1B3V and 1FCE. Ligand interaction with xylanase was further investigated through molecular dynamics. The xylanase from Penicillium simplicissimum (PDB 1B3V) exhibited comparable affinities for α-D-xylopyranose and β-D-xylopyranose. In contrast, the xylanase from Clostridium cellulolyticum (PDB 1FCE) demonstrated a stronger affinity for β-D-glucopyranose than for 4-thiouridine. Molecular dynamic investigations indicated the stability of both structures against the tested ligands. These findings provide a foundation for potential experimental validations and the application of molecular mechanics techniques. Such approaches could unveil the detailed catalytic mechanism and bolster the industrial efficacy of the enzyme
Reaction Stability Test of Hexavalent Chromium Complex with 1,5-Diphenylcarbazide in Analysis using UV Visible Spectrophotometer
A reaction stability test of hexavalent chromium complex with 1,5-diphenyl carbazide in analysis using a UV Visible Spectrophotometer has been done in this study. This study aims to find out the colored complex stability for the reaction of chromium hexavalent and diphenyl carbazide in the analysis of hexavalent chromium using a UV Vis spectrophotometer in terms of time. The sample was measured in 540 nm of wavelength with 10, 30, 60, 90, 120, and 180-minute time intervals. Each interval was carried out with two times replications. There were no significant differences in the colored complex until the 180-minute time interval, and the measurement of Cr(VI) concentration showed similar results. This analysis exhibits a level of precision and accuracy, evident from the RPD values below 10 % and the recovery values falling within the range of 90 – 110 %. It means that the reaction of hexavalent chromium complex with 1,5-diphenyl carbazide in analysis using a UV Visible Spectrophotometer is stable
Comparative Analysis of Coal Quality across Various Coal Basins in Sumatra: A Case Study of Calorific Value, Moisture Content, and Sulfur Content
Indonesia and other countries have used coal as their main energy source for many years. Due to variances in coal formation, maturity, and geological history, each basin may have a range in coal quality. It houses unique coal basins—South Sumatra, Central Sumatra, Riau, and Aceh—each marked by distinct geological features. Variations in coal formation, maturity, and geological history contribute to quality differences. The analysis of coal quality plays a crucial role in determining its suitability for various applications, including power generation, industrial processes, and export purposes. This study focuses on the coal characteristics of Riau (Coal A), Bengkulu (Coal B), South Sumatra (Coal C), and Jambi (Coal D), evaluating parameters such as calorific value, moisture content, and sulfur content. Employing ASTM-based analysis methods, results reveal that Coal D exhibits the lowest sulfur but has a diminished calorific value, while Coal A boasts a higher calorific value but the highest total sulfur content. Understanding such distinctions is crucial for determining coal's suitability for diverse applications like power generation, industrial processes, and exports. Hopefully, this research could help in estimating the economic potential of these basins, identifying areas with higher-quality coal, and planning future exploration and development activities
Synthesis of Zeolite-A From Oil Palm Shell Ash for Ferrous Metal Adsorption in Borehole Water
Research has been conducted to adsorb Fe (III) ions in borehole water from Haruru Village, Central Maluku District, and artificial wastewater using A-type zeolite synthesized from oil palm shell ash. The oil palm shell ash was chemically activated by washing with 2 M HCl, serving as a source of SiO2. The synthesized zeolite A underwent characterization using X-ray diffraction (XRD) to determine its crystallinity. Batch adsorption of Fe (III) ions using zeolite A in borehole water and artificial wastewater was performed, involving variations in contact time and adsorbed iron concentration, and was analyzed using atomic absorption spectroscopy. The XRD analysis results indicated that the peaks of zeolite A were more pronounced at a NaOH mass of 93.75 grams, totaling ten peaks. The analysis of the initial concentration of Fe (III) ions in borehole water was 1.2151 ppm, while in artificial wastewater, it was 2.00 ppm. The optimum capacity and efficiency of zeolite A for Fe (III) ions in borehole water from Haruru Village were observed at a contact time of 40 minutes, with a capacity value of 0.1558 mg/g and an efficiency of 10.26%