Molekul: Jurnal Ilmiah Kimia
The MOLEKUL is dedicated to fostering advancements in all branches of chemistry and its diverse sub-disciplines. It aims to publish high-quality research encompassing a wide range of topics, including but not limited to Pharmaceutical Chemistry, Biological Activities of Synthetic Drugs, Environmental Chemistry, Biochemistry, Polymer Chemistry, Petroleum Chemistry, and Agricultural Chemistry. By providing a platform for rigorous scientific inquiry and dissemination of knowledge, the journal strives to contribute to the understanding, innovation, and practical applications of chemistry in various fields. We encourage submissions that explore new methodologies, elucidate fundamental principles, address pressing challenges, and demonstrate the potential for real-world impact. Our journal welcomes original research articles, reviews, and perspectives from researchers, scholars, and professionals across the global scientific community, promoting interdisciplinary collaboration and the advancement of chemical sciences. The scope of this journal encompasses a wide range of topics within the field of chemistry, with a particular focus on advancing knowledge and innovation in the following areas: 1. Theoretical Chemistry and Environmental Chemistry: This includes theoretical studies, computational modeling, and experimental investigations related to chemical reactivity, molecular structures, spectroscopy, and the environmental fate and impact of chemicals. 2. Materials Synthesis for Energy and Environmental Applications: The journal welcomes research on the synthesis, characterization, and application of materials for energy storage, catalysis, solar energy conversion, pollution mitigation, and sustainable environmental technologies. 3. Isolation, Purification, and Modification of Biomolecules: Manuscripts addressing the isolation, purification, and modification of biomolecules, such as proteins, nucleic acids, carbohydrates, and lipids, along with their applications in areas such as biotechnology, drug discovery, and diagnostics, are of particular interest. 4. Fabrication, Development, and Validation of Analytical Methods: The journal encourages submissions focusing on the development and optimization of analytical techniques, including chromatography, spectroscopy, electrochemistry, and mass spectrometry. Topics may include method validation, sample preparation, quality control, and applications in diverse fields.
Articles
255 Documents
<![CDATA[A Combined Molecular Docking, Dynamics Simulation, and In Vitro Evaluation of Hydroxythioxanthones as Antidiabetic and Antioxidant Candidates ]]>
<![CDATA[Faris Hermawan]]>;
<![CDATA[Anita Dwi Puspitasari]]>;
<![CDATA[Ririn Lispita Wulandari]]>;
<![CDATA[Muhammad Eka Prastya]]>;
<![CDATA[Minarti Minarti]]>;
<![CDATA[Nik Nur Syazni Nik Mohamed Kamal]]>;
<![CDATA[Hasna Marwa Annazwa]]>;
<![CDATA[Sorta Dwi Margaretta Nababan]]>
<![CDATA[ Molekul Vol 21 No 2 (2026) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2026.21.2.17616
<![CDATA[ABSTRACT. This research conducts a comprehensive investigation of hydroxythioxanthone derivatives through an integrated methodology that includes molecular docking, molecular dynamics (MD) simulations, and in vitro evaluations of antidiabetic and antioxidant activities. Molecular docking and MD simulations were performed to elucidate the binding interactions and dynamic stability of these compounds in complex with the α-glucosidase enzyme. The docking results indicated that the hydroxythioxanthone derivatives exhibited binding affinities ranging from −5.48 to −6.42 kcal/mol. In contrast, α-D-glucopyranose and quercetin demonstrated higher binding affinities of −6.99 and −7.01 kcal/mol, respectively. Subsequently, 100 ns MD simulations confirmed the stability of the ligand–protein complexes, as evidenced by consistently low values of root mean square deviation (RMSD), root mean square fluctuation (RMSF), and radius of gyration (Rg). The antidiabetic activity assay revealed that 4-chloro-1-hydroxythioxanthone (TX4) and 2,4-dichloro-1,3-dihydroxythioxanthone (TX5) exhibited strong inhibitory effects against α-glucosidase, with IC₅₀ values of 78.35 and 91.97 µg/mL, respectively, whereas quercetin showed a lower IC₅₀ value of 1.25 µg/mL. Furthermore, the antioxidant evaluation demonstrated that 2-chloro-1-hydroxythioxanthone (TX3) and 4-chloro-1-hydroxythioxanthone (TX4) possessed IC₅₀ values of 87.48 and 17.72 µg/mL, respectively, while ascorbic acid served as the reference compound with an IC₅₀ value of 9.15 µg/mL. Keywords: antidiabetic, antioxidant, molecular docking, molecular dynamics, thioxanthone]]>
<![CDATA[Exploration of Anticancer Activity Potential and Molecular Docking Study of Essential Oil Blumea balsamifera Leaves Against Several Breast Cancer Cell Lines (T47D and MCF-7) ]]>
<![CDATA[Rahmi Vika Ulia]]>;
<![CDATA[Toto Raharto]]>
<![CDATA[ Molekul Vol 21 No 2 (2026) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2026.21.2.17831
<![CDATA[ABSTRACT. The sembung plant (Blumea balsamifera) is a wild shrub traditionally used to treat various diseases, including cancer. However, comprehensive studies regarding the chemical composition, molecular docking interactions, and anticancer activity of its leaves essential oil against breast cancer cells are still limited. Therefore, this study aimed to explore the anticancer potential and molecular docking interactions of B. balsamifera leaves essential oil against estrogen receptor-positive breast cancer cell lines (T47D and MCF-7). The essential oil was isolated using hydrodistillation and analyzed using Gas Chromatography–Mass Spectrometry (GC-MS), which identified 36 chemical compounds. The major compounds were camphor (32.56%), caryophyllene (17.04%), 7-epi-silphiperfol-5-ene (5.33%), and gamma-eudesmol (5.01%). Preliminary cytotoxicity screening using the Brine Shrimp Lethality Test (BSLT) demonstrated strong cytotoxic activity with an LC50 value of 17.17 µg/mL. Molecular docking analysis against estrogen receptor alpha (ER-α) showed favorable binding affinity values ranging from -6.444 to -8.434 kcal/mol. Furthermore, the essential oil exhibited moderate anticancer activity against T47D and MCF-7 breast cancer cells, with IC50 values of 39.52 µg/mL and 30.18 µg/mL, respectively. These findings suggest that B. balsamifera leaves essential oil has potential as a natural source of anticancer compounds for further investigation. Keywords: Anticancer, Blumea balsamifera, molecular docking, MTT assay]]>
<![CDATA[Development and Characterization of Limeberry (Triphasia trifolia) Fruit Extract Nanoparticles Prepared by Ionic Gelation and Their Antibacterial Activity Against Staphylococcus aureus and Salmonella sp. ]]>
<![CDATA[Novita Herdiana]]>;
<![CDATA[Sri Hidayati]]>;
<![CDATA[Dewi Sartika]]>;
<![CDATA[Subeki Subeki]]>;
<![CDATA[Suharyono Suharyono]]>;
<![CDATA[Silaturahmi Widaputri]]>;
<![CDATA[Diki Danar Tri Winanti]]>;
<![CDATA[Teguh Setiawan]]>
<![CDATA[ Molekul Vol 21 No 2 (2026) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2026.21.2.17850
<![CDATA[ABSTRACT. Limeberry (Triphasia trifolia) is a plant with the potential for a traditional medicine. It has an antibacterial agent. Limeberry extract made on a nanoscale can enlarge the surface area of particles which allows isolation of more active ingredients for stronger antibacterial action. The ionic g elation method was used to form nanoparticles with chitosan polymer and sodium tripolyphosphate (NaTPP) as polyanion. The purpose of the current study was to determine the characteristics and inhibition of the antibacterial activity of nanoparticles of ethanol extract of limeberry fruit (T. trifolia) against Staphylococcus aureus and Salmonella sp. The results showed that the best formula of limeberry (T. trifolia) was the concentration of 0.75% chitosan and 0.01% NaTPP. The characteristics of nanoparticles obtained a particle size of 365.81 nm with a polydispersity index of 0.718. The shape of the particles is imperfectly round and the FTIR analysis shows cross-linking between chitosan, sodium tripolyphosphate (NaTPP), and the limeberry fruit extract. Antibacterial testing against S. aureus and Salmonella sp. bacteria obtained an average inhibition zone of 28.56 mm and 23.57 mm with a very strong inhibition activity. Keywords: Antibacterial activity, limeberry, nanoparticles, Salmonella sp., Staphylococcus aureus]]>
<![CDATA[Citronellyl Caffeate as a Novel α-Glucosidase Inhibitor with Potential Antidiabetic Activity ]]>
<![CDATA[Lestari Elvina Wibowo]]>;
<![CDATA[Sumi Hudiyono]]>;
<![CDATA[Muhammad Hanafi]]>;
<![CDATA[Nina Artanti]]>
<![CDATA[ Molekul Vol 21 No 2 (2026) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2026.21.2.18162
<![CDATA[ABSTRACT. Caffeic acid, a well-studied phenolic acid, has been extensively investigated for its diverse bioactivities, including antidiabetic, anti-inflammatory, antioxidant, antimicrobial, and antiviral properties. Esterification of caffeic acid has been explored to modulate its physicochemical and biological properties, however, optimization of lipophilicity while maintaining inhibitory activity remains a challenge. In this context, citronellyl caffeate was designed as a structurally optimized derivative that enhances α-glucosidase inhibition while improving lipophilicity and permeability. To enhance antidiabetic bioactivity through α-glucosidase inhibition, caffeic acid and citronellol were coupled using dicyclohexylcarbodiimide (DCC) as an activator and 4-dimethylaminopyridine (DMAP) as a catalyst with dimethylformamide (DMF) as the solvent. The synthesis was carried out under reflux conditions, followed by purification via liquid–liquid extraction and column chromatography, with thin-layer chromatography (TLC) used to confirm purity. The resulting compound, citronellyl caffeate, was characterized using ¹H NMR and ¹³C NMR spectroscopy. Evaluation through α-glucosidase inhibition assays demonstrated that citronellyl caffeate showed enhanced α-glucosidase inhibitory activity (IC₅₀ = 31.17 µg/mL) compared to its precursors, caffeic acid and citronellol, despite being less potent than quercetin (IC₅₀ = 2.43 µg/mL), it demonstrates biologically relevant inhibition consistent with successful structural optimization. Keywords: antidiabetic, caffeic acid, citronellol, glucosidase, synthesis]]>
<![CDATA[New Method of Crotepoxide Isolation from the Rhizome of Kaempferia rotunda ]]>
<![CDATA[Soerya Dewi Marliyana]]>;
<![CDATA[Risna Ramadhani]]>;
<![CDATA[Muhammad Widyo Wartono]]>;
<![CDATA[Faqih Abil Mahazein]]>
<![CDATA[ Molekul Vol 21 No 2 (2026) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2026.21.2.18309
<![CDATA[Kaempferia rotunda, commonly known as Kunci Pepet, is a Southeast Asian plant. Among its various compounds, crotepoxide stands out as the major secondary metabolite found in its rhizome, classified under polyoxygenated cyclohexanes. This compound has demonstrated various bioactivities, including antibacterial, antileishmanial, and antimutagenic effects, and shows significant promise as an antitumor agent. The potential therapeutic applications of crotepoxide, spotlight the importance of K. rotunda in traditional medicine and modern pharmacology. Previous studies on the isolation of crotepoxide have often employed lengthy purification processes, resulting in low yields. This study aims to develop a simplified method for isolating crotepoxide from K. rotunda rhizomes, thereby enhancing the yield. The successful extraction was achieved through a maceration technique using acetone as the solvent, followed by purification via recrystallization and monitoring through thin-layer chromatography, yielding 70.4% of crotepoxide. The identification of the compound was confirmed through FTIR and 1D-NMR (1H-NMR and 13C-NMR) analyses.]]>
<![CDATA[Characterization of Sago Starch Complex with Ferulic Acid Isolated from Corn Cob and Evaluation of Antioxidant Activity ]]>
<![CDATA[Edi Suryanto]]>;
<![CDATA[Mercy Irda Riantiny Taroreh]]>;
<![CDATA[Alexander Sam Leonard Bolang]]>;
<![CDATA[Imam Jayanto]]>
<![CDATA[ Molekul Vol 21 No 2 (2026) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2026.21.2.18316
<![CDATA[ABSTRACT. Corncob is one of agro-food by-products, a potential source of natural antioxidants and functional food ingredients, rich in ferulic acid and dietary fibre. In this study, ferulic acid was isolated from corncobs after alkaline pretreatment using a multi-step extraction process and structurally verified, providing a suitable bioactive compound for baruk sago (SB) starch complexation. FTIR analysis showed characteristic absorption peaks at 3379-3387 cm⁻¹, indicating interactions between FA and starch. XRD results revealed a transformation of the native SB starch crystalline structure and a marked decrease in crystallinity from 40.31% to 8.60% after complexation. SEM observations demonstrated morphological changes from predominantly smooth, oval, and compact granules to a looser gel structure in the starch–FA complex. In vitro antioxidant evaluation using the DPPH radical scavenging assay showed that the SB starch–FA complex exhibited higher scavenging activity compared to native SB and pre-gelatinized (SBG) starch. These findings confirm the successful incorporation of FA into SB starch and demonstrate that complexation significantly modifies physicochemical properties and enhances antioxidant capacity, highlighting its potential application as a functional food ingredient and nutraceutical material. Keywords: Antioxidant, characterization, sagu baruk, starch-ferulic acid complex]]>
<![CDATA[Multifunctional Bioactivities of Apis dorsata Binghami Nest Extract-Fortified Tea: Antioxidant, Cytotoxic, and α-Glucosidase Inhibitory Potential ]]>
<![CDATA[Yermia Semuel Mokosuli]]>;
<![CDATA[Alva Sahiri Supit]]>;
<![CDATA[Herry Maurits Sumampouw]]>
<![CDATA[ Molekul Vol 21 No 2 (2026) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2026.21.2.18327
<![CDATA[ABSTRACT. Bee-derived products are increasingly acknowledged as valuable functional ingredients because of their abundant phenolic and flavonoid content; yet, the biological potential of honeycomb or nest extracts is still inadequately investigated. The current research examined the bioactive characteristics and multifunctional properties of a tea formulation enhanced with Apis dorsata Binghami nest extract. The total phenolic and flavonoid concentrations were measured with Folin–Ciocalteu and AlCl₃ colorimetric tests, respectively, with results reported as equivalents of gallic acid and quercetin. The antioxidant capacity was examined by DPPH radical scavenging, anticancer activity was determined by cytotoxicity against human breast adenocarcinoma (MCF-7) cells through the Presto Blue™ assay, and antidiabetic potential was investigated via α-glucosidase inhibition. The formulation demonstrated significant quantities of phenolic and flavonoid compounds, which were associated with pronounced free radical scavenging activity. Cytotoxicity experiments demonstrated a concentration-dependent decrease in MCF-7 viability, with IC₅₀ values reflecting moderate potency relative to cisplatin, although above the potency of crude extracts noted in previous investigations. The extract exhibited notable α-glucosidase inhibitory actions, indicating its promise in glycemic management. Collectively, our data underscore the potential synergistic interaction of tea polyphenols and nest-derived bioactives in augmenting antioxidant, anticancer, and antidiabetic effects. This is, to our knowledge, the inaugural integrated study assessing the multifunctional bioactivities of Apis dorsata Binghami nest extract prepared as tea. The findings highlight its promise as an innovative functional beverage and nutraceutical option, offering scientific validation for the enhancement of underutilized bee resources in combating oxidative stress–related ailments. Keywords: Apis dorsata Binghami, anticancer, antidiabetic, antioxidant, Multifunctional Bioactivities, phenolic content]]>
<![CDATA[Triterpenoids from Aglaia shawiana with their Cytotoxicity against MDA-MB468 and MCF-7 Cancer Cell Lines ]]>
<![CDATA[Ricson Pemimpin Hutagaol]]>;
<![CDATA[Tjandrawati Mozef]]>;
<![CDATA[Gian Primahana]]>;
<![CDATA[Sofa Fajriah]]>;
<![CDATA[Nuralih Nuralih]]>;
<![CDATA[Fitri Nur Aini]]>;
<![CDATA[Desy Setyaningsih]]>
<![CDATA[ Molekul Vol 21 No 2 (2026) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2026.21.2.18839
<![CDATA[Triterpenoids are secondary metabolite compounds that are predominantly found in plants of the genus Aglaia. Since the 1960s, various triterpenoid structures from Aglaia species have been successfully isolated, and many are known to have interesting biological activities. This study aims to find triterpenoid compounds from Aglaia shawiana, which will then be tested for their activity against two breast cancer cell lines, MCF-7 and MDA MB 468. This research is expected to be used as a basis for further study in the development of cancer drug substances from Aglaia triterpenoids. Two triterpenoids were isolated from n-hexane extract of Aglaia shawiana leaves and twigs which is, namely cycloartan-3β,29-diol-24-ones (1), and 3-epi-cabraleahydroxylactone (2). Their chemical structures were determined based on spectroscopic data using infrared, high-resolution mass spectrometry, and including one and two-dimensional NMR techniques. Comparative data analysis was also carried out with appropriate reference journals and through a biosynthesis approach of the triterpene compounds. Both compounds were evaluated for their cytotoxic effects on MCF-7 and MDA MB-468 breast cancer cells. Compound 1 showed cytotoxicity with IC50 values of 118,2668 and 3,6505 µg/ml, meanwhile compound 2 values of 115,1065 μg/ml and 14,5274µg/ml, respectively. Doxorubicin used as a positive control with IC50 values of 3,2724 and 0,0303 µg/ml, respectively.]]>
<![CDATA[Production of Some Extracellular Hydrolases by Halophilic Bacteria Isolated from Mangrove Soil in Sumberkima Village, Bali, Indonesia ]]>
<![CDATA[I Putu Parwata]]>;
<![CDATA[Siti Maryam]]>;
<![CDATA[I Nyoman Tika]]>
<![CDATA[ Molekul Vol 21 No 2 (2026) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2026.21.2.19084
<![CDATA[Hydrolases are enzymes with broad industrial applications across the food, pharmaceutical, textile, detergent, and paper sectors. For commercial use, these enzymes are primarily sourced from microorganisms. Halophilic bacteria, which thrive in high-salinity environments, represent a promising yet underutilized source of novel hydrolases. This study aimed to isolate and screen halophilic bacteria from mangrove soil in Sumberkima Village, Buleleng Regency, Bali Province, Indonesia, for their ability to produce extracellular hydrolases. Soil samples were cultivated on Luria-Bertani (LB) media supplemented with 5% and 10% (w/v) NaCl. Putative colonies were isolated and screened for amylase, cellulase, and lipase production using starch, carboxymethyl cellulose, and rhodamine-olive oil agar, respectively. Enzymatic activities were quantified via spectrophotometry, and the most proficient isolates were identified through 16S rRNA gene phylogenetic analysis. The screening yielded several halophilic bacteria with significant extracellular hydrolase activity. The most proficient isolates identified were: amylase-producing Vibrio xiamenensis SKMG1(4) (0.44 U/mL), cellulase-producing Vibrio hepatarius SKMG1(3) (0.36 U/mL), and lipase-producing Salinivibrio kushneri SKMG2(5) (21.6 U/mL). Phylogenetic analysis confirmed the close taxonomic relationship of these isolates to their respective type strains. This study represents the first report of extracellular hydrolase production from these three halophilic bacterial species, highlighting their potential for specialized industrial applications.]]>
<![CDATA[Nanoemulsion-Based Delivery of Peronema canescens Ethanol Leaf Extract Using Cinnamon Oil and Red Palm Oil: Physicochemical Characterization, Antioxidant Activity, and Immunomodulatory Potential ]]>
<![CDATA[Yusnaidar Yusnaidar]]>;
<![CDATA[Marsela Oktavioni]]>;
<![CDATA[Dian Natasya]]>;
<![CDATA[Madyawati Latief]]>;
<![CDATA[Indra Lasmana Tarigan]]>
<![CDATA[ Molekul Vol 21 No 2 (2026) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2026.21.2.19263
<![CDATA[Natural plant extracts are widely recognized for their bioactive potential, yet their use is often hindered by poor physicochemical stability and limited oral absorption. Peronema canescens Jack. (Sungkai) leaves have traditionally been employed for their immunostimulatory and antioxidant effects, but their application in pharmaceutical formulations is restricted due to low solubility in water and instability in conventional preparations. This study focused on the development of a nanoemulsion-based delivery system for the ethanol extract of Peronema canescens (P. canescens) leaves and evaluated its antioxidant and immunomodulatory properties. The nanoemulsions were formulated as oil-in-water systems and characterized for droplet size, uniformity, optical clarity, and physical stability. Antioxidant potential was measured using the DPPH radical scavenging assay, expressed as IC₅₀, while immunomodulatory effects were assessed in vivo through hematological parameters after oral administration. The SNEDDS formulations exhibited nanoscale droplets (40–59 nm), high transparency (82–98% transmittance), and stable physical properties. Extract-loaded formulations generally displayed strong antioxidant activity with IC₅₀ values below 50 ppm, although the crude extract showed slightly superior radical scavenging. In vivo, the formulations containing P. canescens extract influenced total leukocyte counts to varying degrees, whereas unloaded formulations had negligible effects. Some formulations produced leukocyte levels comparable to or exceeding those of the crude extract and positive control, while hemoglobin, erythrocyte, and hematocrit levels remained within normal physiological ranges. These findings demonstrate that nanoemulsion-based systems can preserve the antioxidant activity of P. canescens leaf extract and modulate immune responses effectively in vivo. This approach offers a practical strategy to enhance the stability, consistency, and potential application of plant-derived bioactive compounds in nutraceutical and phytopharmaceutical development.]]>
