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INDONESIA
Indonesian Journal of Chemistry
Published by Universitas Gadjah Mada
ISSN : 14119420     EISSN : 24601578     DOI : -
Core Subject : Science, Engineering,
Chemical Engineering, Chemistry & Bioengineering Chemistry
Indonesian Journal of Chemistry is an International, peer-reviewed, open access journal that publishes original research articles, review articles, as well as short communication in all areas of chemistry including applied chemistry. The journal is accredited by The Ministry of Research, Technology and Higher Education (RISTEKDIKTI) No : 21/E/KPT/2018 (in First Rank) and indexed in Scopus since 2012. Since 2018 (Volume 18), Indonesian Journal of Chemistry publish four issues (numbers) annually (February, May, August and November).
Arjuna Subject : -
Articles 25 Documents
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Search results for , issue "Vol 25, No 4 (2025)" : 25 Documents clear
Kinetic Insights into Cadmium and Lead Removal Using Cellulose-Based Schiff Base Complexes as Adsorbents Ibrahim, Farah Muaiad
Indonesian Journal of Chemistry Vol 25, No 4 (2025)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.104991

Abstract

The removal of heavy metals from water is a key environmental challenge. This study focuses on synthesizing and using Schiff base-modified cellulose as adsorbents for cadmium (Cd) and lead (Pb) ions. The materials were developed by modifying cellulose and incorporating Schiff base ligands with Fe(III) and Zn(II) binding sites (Schiffs 1 and 2). Characterization through EDX, SEM, FTIR, elemental analysis, XRD, and TGA confirmed improved surface properties and active adsorption sites. Adsorption followed pseudo-second-order kinetics, indicating chemisorption. The monolayer adsorption capacities for Schiff 1 were 83 mg/g Cd and 78 mg/g Pb, while for Schiff 2, they were 70 mg/g Cd and 63 mg/g Pb. Optimal conditions included solution pH 4.0–5.0, stirring for 45–60 min, 100 mg/L metal concentration, and room temperature (25 ± 2 °C). EDTA efficiently desorbed Cd and Pb for 4 cycles with over 85% efficiency. This study highlights the material’s potential as a cost-effective and eco-friendly solution for wastewater treatment.
Computational Study of Photosynthetic Pigments: Toward Synthetic Photosynthesis Engineering Wicaksono, Adhityo; Prakoso, Muhammad Ja'far; Ridarto, Afif Maulana Yusuf; Parikesit, Arli Aditya
Indonesian Journal of Chemistry Vol 25, No 4 (2025)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.105059

Abstract

Chlorophyll is a widely known photosynthetic pigment in plants, algae, and cyanobacteria, along with bacteriochlorophyll in some photosynthetic bacteria. The pigments consist of tetrapyrrole structures that carry a single magnesium atom at the center. They play important parts in the light-harvesting process in photosynthesis. This study aimed to characterize and compare the electronic profiles of chlorophyll and bacteriochlorophyll pigments by using in silico computational approaches, such as density functional theory (DFT), electronic transfer property analysis, and protein-pigment interaction studies via molecular docking. The results showed that chlorophylls a, b, and c have the highest energy gaps at the ground state DFT. For bacteriochlorophylls, bacteriochlorophylls g and b have the highest energy gaps. The time-dependent DFT and the follow-up calculations, including extinction coefficient, tunneling rate, and coherence time, indicated bacteriochlorophyll g as a highly promising and efficient pigment. Additionally, chlorophyll c and bacteriochlorophylls c and d showed the strongest binding affinities with the chlorophyll-binding protein of plant photosystem II. This study provides a comprehensive and replicable computational pipeline for pigment profiling, advancing future synthetic photosynthesis designs through combined quantum and synthetic biology insights.
Design, Synthesis, and Antifungal Analysis of Pyrazoline Derivatives Against Candida Species: A Comprehensive In Vitro and In Silico Approach Rohim, Muhammad; Haryani, Yuli; Frimayanti, Neni; Muttaqin, Fauzan Zein; Teruna, Hilwan Yuda; Hendra, Rudi
Indonesian Journal of Chemistry Vol 25, No 4 (2025)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.105255

Abstract

This study utilized in vitro and in silico methods to assess the antifungal efficacy of synthesized pyrazoline derivatives (4a–e) against Candida species. The compounds were produced by a one-pot process and structurally analyzed using spectroscopic methods. The antifungal efficacy was evaluated against C. albicans, C. glabrata, and C. krusei using minimum inhibitory concentration (MIC) and minimum fungicidal concentration (MFC) assays. Among the derivatives, compound 4e exhibited potent antifungal action, displaying MIC values similar to ketoconazole. Molecular docking and pharmacophore modeling have shown that 4e interacts efficiently with critical residues of lanosterol 14α-demethylase (CYP51). The density functional theory (DFT) study indicated advantageous electrical characteristics, while molecular dynamics simulations validated the structural stability of the 4e–CYP51 complex, evidenced by low RMSD and RMSF values, along with an MM/GBSA binding energy comparable to that of ketoconazole. A robust association between binding energy and MIC substantiates the predictive use of computational data. The results suggest that compound 4e replicates the binding characteristics of ketoconazole and may be a viable candidate for antifungal medication development. This integrative strategy reinforces the justification for additional optimization and preclinical assessment of pyrazoline-based antifungal drugs aimed at CYP51.
In Silico Study of Alkaloid Compounds from Sida rhombifolia (Sidaguri) as Antimalarial Agents Targeting Plasmodium falciparum Dihydrofolate Reductase Arfansyah, Arfansyah; Sepyana, Anisa; Bahrun, Bahrun; Artasasta, Muh Ade; Rasyid, Herlina
Indonesian Journal of Chemistry Vol 25, No 4 (2025)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.106340

Abstract

Malaria, caused by the Plasmodium parasite, represents a significant global health challenge, with approximately 229 million cases reported in 2020. Current treatments include artemisinin-based combination therapy; however, drug resistance poses serious issues. Natural products, including alkaloids from Sida rhombifolia, particularly cryptolepine, effectively inhibit Plasmodium falciparum through DNA intercalation. Research indicates that mutations in the PfDHFR enzyme of P. falciparum contribute to drug resistance, highlighting the urgent need for new inhibitors. A literature review combined with SwissADME, toxicology predictions, and molecular docking methods identified 11-cryptolepine carboxylic acid (B1) and N-trans-feruloyl tyramine (B11) as potential new inhibitors. The compounds exhibited binding energies of −7.22 and −8.41 kcal/mol, which are close to the native ligand (−7.31 kcal/mol). Additionally, they demonstrate favorable drug-likeness properties, indicating their potential as viable candidates for drug development. The molecular dynamics simulation for 100 ns was conducted to observe molecular interactions in a specific system dynamically. It was found that ligand B1 has better stability compared to ligand B11. This compound demonstrates significant potential for advancing malaria treatment strategies. Further research and clinical evaluation are warranted to fully realize their potential and translate these findings into effective clinical interventions for combating malaria globally.
Anticancer and Antimalarial Assays of Xanthone-Fatty Acid Hybrids: Integrative In Vitro and In Silico Evaluation Kurniawan, Yehezkiel Steven; Harizal, Harizal; Yudha, Ervan; Gurning, Kasta; Pranowo, Harno Dwi; Sholikhah, Eti Nurwening; Jumina, Jumina
Indonesian Journal of Chemistry Vol 25, No 4 (2025)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.106816

Abstract

Cancer and malaria are two fatal diseases found in Indonesia over the past several years. Therefore, researchers are trying their best to find new anticancer and antimalarial agents. In the present work, we evaluated five xanthone-fatty acid hybrids, i.e., xanthyl laurate (XL), xanthyl myristate (XM), xanthyl palmitate (XP), xanthyl stearate (XS), and xanthyl oleate (XO), as novel anticancer and antimalarial agents. The cytotoxicity assay towards NIH3T3 reveals that xanthone-fatty acid hybrids showed a selectivity index up to 282.08, demonstrating their non-toxic profile. The MTT assay found that XO yielded stronger breast anticancer activity than doxorubicin as the positive control. All xanthone-fatty acid hybrids exhibited moderate antimalarial activity with IC50 values of 24.24–87.57 µM, lower than that of chloroquine diphosphate as the positive control (4.26 µM). As the best anticancer agent for breast cancer, the mode of action of XO was further studied by computational studies. The molecular docking results showed the binding energy against the HER2 protein was −45.73 kJ/mol through a hydrogen bond with Lys753. This hydrogen bond remained stable until the end of the molecular dynamics simulations for 100 ns. These findings highlight the potential application of XO as a new drug candidate for breast cancer treatment.

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