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[Triterpenoid betulinaldehyde and betulinic acid from the stem bark of Dillenia ochreata (Miq.) Teijsm. & Binn. ex Martelli ]]>
<![CDATA[Muharni Muharni]]>;
<![CDATA[Fadhilla Putria Gunanda]]>;
<![CDATA[Suci Marzulia Rahman]]>;
<![CDATA[Heni Yohandi]]>;
<![CDATA[Julinar Julinar]]>
<![CDATA[ Molekul Vol 21 No 2 (2026) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2026.21.2.19276
<![CDATA[Dillenia ochreata is a traditional medicinal plant used to treat scurvy.The pharmacological activity of D. ochreata as a scurvy drug was related to the content of secondary metabolite compounds.The research aimed to isolate and determine the structure of compounds from the stem bark of D. ochreata and assess their antibacterial activity. The extraction used the maceration method with graded polarity (n-hexane and ethyl acetate).The separation and purification using chromatography methods. The structures were determined by spectroscopic analyses using FT-IR and NMR spectroscopy. The compounds were tested for antibacterial activity against Escherichia coli and Staphylococcus aureus using the diffusion method, and the minimum inhibitory concentration (MIC) was determined by the microdilution method. Two compounds, betulinaldehyde (1) and betulinic acid (2), have been isolated. Betulinaldehyde (1) showed weak antibacterial activity against E. coli with a minimum inhibition concentration (MIC) of 120 μg/mL and moderate activity against S. aureus (MIC 15 μg/mL), while betulinic acid (2) showed weak activity against both bacteria (MIC 120 μg/mL). The betulinaldehyde and betulinic acid were first reported from D. ochreata.]]>
<![CDATA[Structural Characterization and Antidiabetic Drug Potential of Aminated Eugenol Derivatives Synthesized via Ultrasound-Assisted Method ]]>
<![CDATA[Riska Mardiyanti]]>;
<![CDATA[Jumina Jumina]]>;
<![CDATA[Nunuk Hariani Soekamto]]>;
<![CDATA[Nur Umriani Permatasari]]>;
<![CDATA[Bulkis Musa]]>;
<![CDATA[Muhammad Al Mustawa]]>
<![CDATA[ Molekul Vol 21 No 2 (2026) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2026.21.2.19280
<![CDATA[ABSTRACT. Diabetes mellitus remains a global health challenge, necessitating the development of more effective a-amylase inhibitors with fewer side effects than current synthetic drugs. This study reports the successful synthesis of three aminated eugenol derivatives, a (1-(4-allyl-2-methoxyphenoxy)-3-(phenylamino)propan-2-ol), b (1-(4-allyl-2-methoxyphenoxy)-3-(m-tolylamino)propan-2-ol), and c (1-(4-allyl-2-methoxyphenoxy)-3-((4 chlorophenyl)amino)propan-2-ol), via ultrasonically assisted epoxide ring-opening using aniline, m-toluidine, and 4-chloroaniline. Ultrasonic irradiation significantly reduced the reaction time from 5-24 hours to 2 hours. Structural characterization by FTIR, ¹H-NMR, ¹³C-NMR, GC-MS, and melting point analysis confirmed the successful formation of all derivatives. In vitro α-amylase inhibition assays (UV–Vis) showed that all compounds exhibited higher inhibitory activity than acarbose, with compound b demonstrating the strongest inhibition (99.04% at 250 µM). Molecular docking studies against α-amylase (PDB: 1B2Y) further supported these results, yielding binding energies of –4.58, –5.13, and –5.16 kcal mol⁻¹ for compounds a, b, and c, respectively, compared with –3.64 kcal mol⁻¹ for acarbose. These findings demonstrate the enhanced efficiency of the ultrasound-assisted synthesis and substituent variations enhance both the structural and biological properties of the eugenol derivatives, offering critical perspectives on how their molecular structure dictates activity, thereby validating their future utility as promising antidiabetic drug candidates. Keywords: α-amylase binding affinity, epoxide ring-opening, sonochemical synthesis, structure-activity relationship, substituent electronic effect.]]>
<![CDATA[Antioxidant and Anti-Breast Cancer Potentials of the Hydrophilic Fraction from Soft Coral Nepthea sp.: In Vitro and In Silico Assessment ]]>
<![CDATA[Sahidin Sahidin]]>;
<![CDATA[Baru Sadarun]]>;
<![CDATA[Marianti A Manggau]]>;
<![CDATA[Adryan Fristiohady]]>;
<![CDATA[Dzaky Aulia Rahman]]>;
<![CDATA[Agung Wibawa Mahatva Yodha]]>;
<![CDATA[Arfan Arfan]]>;
<![CDATA[Andini Sundowo]]>;
<![CDATA[Sofa Fajriah]]>
<![CDATA[ Molekul Vol 21 No 2 (2026) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2026.21.2.19418
<![CDATA[ABSTRACT. Soft corals of the genus Nepthea are recognized as rich sources of marine bioactive compounds, yet their hydrophilic metabolites remain poorly explored. This study characterized the hydrophilic fraction of Nepthea sp. and assessed its antioxidant and anti–breast cancer activities through in vitro and in silico approaches. Ethyl acetate extract (EAE) of Nepthea sp. was fractionated into six subfractions (F1–F6), with F5–F6 representing hydrophilic fractions. Phytochemical screening, TPC, TFC, and LC–MS/MS analyses were conducted alongside antioxidant (DPPH, ABTS), cytotoxicity (MTT, MCF-7), and molecular docking assays against xanthine oxidase (XO) and estrogen receptor alpha (ERα). Phytochemical profiling revealed alkaloids, phenolics, flavonoids, saponins, and terpenoids, with F5 exhibiting the highest TPC (73.11 mg GAE/g) and TFC (2.20 mg QE/g). LC–MS/MS identified rengyolester and piperolactam-C9:1(8E) in F5 and isosalsoline and 3-tert-butyl-4-methoxyphenol in F6. F5 demonstrated stronger antioxidant (DPPH IC₅₀ = 67.39 mg/L; ABTS IC₅₀ = 54.12 mg/L) and cytotoxic (MTT IC₅₀ = 42.68 mg/L) activities than F6. Docking analysis supported these results: rengyolester and piperolactam-C9:1(8E) showed strong affinities toward XO (−8.4, −8.7 kcal/mol) and ERα (−7.6, −7.4 kcal/mol), forming interactions with key residues (Phe914, Phe1009, Glu353, Leu525) similar to reference ligands. The hydrophilic fraction particularly F5 contains multifunctional metabolites exhibiting both antioxidant and anticancer properties. The synergistic role of phenolic and terpenoid constituents highlights Nepthea sp. as a promising marine source of bioactive therapeutic leads. Keywords: Antioxidant, breast cancer, hydrophilic fraction, molecular docking, Nepthea sp.]]>
<![CDATA[Qualification of Indonesian National Standard Parameters and GC–MS Identification of Chemical Compounds in Commercial Citronella Essential Oil (Cymbopogon nardus L.) Rendle ]]>
<![CDATA[Sri Wardatun]]>;
<![CDATA[Siti Mahyuni]]>;
<![CDATA[Sandhi Kurnia Purnabakti]]>
<![CDATA[ Molekul Vol 21 No 2 (2026) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2026.21.2.19856
<![CDATA[ABSTRACT. The demand for essential oils has increased rapidly in line with the growth of the cosmetic, food, perfume, pharmaceutical, and aromatherapy industries. Citronella essential oil is one of the essential oils with high economic value and significant therapeutic benefits. Its main active constituents—citronellal, citronellol, and geraniol—exhibit antibacterial, antiseptic, and antioxidant activities and are widely utilized in the perfume and cosmetic industries. Despite established quality standards (SNI 06-3953-1995), many commercial products fail to meet required specifications, particularly in active compound content. Previous reports have highlighted variability in citronellal and geraniol levels, raising concerns about product consistency and consumer safety. Therefore, this study aimed to evaluate the conformity of commercial citronella oils and to identify their chemical constituents using GC–MS method. Gas Chromatography–Mass Spectrometry (GC–MS) method allows to detect trace adulterants and confirm the precise chemical and botanical profile of the essential oil. A Total of six citronella essential oil samples were analyzed, consisting of three brands registered with the Indonesian Food and Drug Authority (BPOM) and three unregistered brands. Quality assessments included color, specific gravity, refractive index, solubility in ethanol, and the presence of foreign substances based on the Indonesian National Standard (SNI) 06-3953-1995. The results showed that all samples met the SNI quality requirements, exhibiting pale yellow to yellowish-brown coloration, specific gravity values of 0.8850–0.9127, refractive indices of 1.467–1.474, and clear solubility at a 1:2 ethanol ratio. GC–MS analysis identified dominant compounds such as cyclofenchene, citronellal, and geraniol, with cyclofenchene being the most abundant component. However, despite compliance with physicochemical parameters, the contents of citronellal and geraniol were still below the minimum limits specified by SNI. These findings indicate variations in the quality of commercial citronella essential oils and highlight the need for standardized production processes and continuous quality control. Keywords: Essential oil, GC-MS, kaffir lime, lemongrass]]>
<![CDATA[Analytical and Spectral Characterization of Thion-Imine Terminal Ligand with its Chelation Compounds: Fabrication, Diagnosis, and Vital Assessment of Several Microorganisms ]]>
<![CDATA[Safaudeen Ali Hussain]]>;
<![CDATA[Enaam Ismail Yousif]]>
<![CDATA[ Molekul Vol 21 No 2 (2026) ]]>
Publisher : <![CDATA[Universitas Jenderal Soedirman ]]>
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DOI: 10.20884/1.jm.2026.21.2.20175
<![CDATA[ABSTRACT. This work reports the formation of a new type of Azo-Schiff fabricated ligand derived from a thiosemicarbazide compound, together with its metal complexes. The ligand, N-(3-((E)-(4-((Z)-1-(2-carbamothioylhydrazineylidene) ethyl)phenyl) diazenyl)-4-hydroxyphenyl) acetamide (HL), was synthesized through condensation of (E)-N-(3-((4-acetylphenyl)diazenyl)-4-hydroxyphenyl)acetamide with thiosemicarbazide by using equivalent molar amounts. This compound was then used as a ligand to coordinate to metal ions, forming complexes with a 1:2 metal-to-ligand ratio. The ligand bonded to the metals via thion and imine groups, with two chlorine bonds on either side, forming octahedral complexes. These compounds were characterized using various spectroscopic, physical, and thermal methods, from which the structural and chemical properties of the resulting compounds were determined. Antimicrobial evaluation against two G(+) bacteria (Staphylococcus aureus, Streptococcus faecalis), two G(‑) bacteria (Acinetobacter baumannii, Escherichia coli), and two species of fungi (Candida albicans, Candida tropicalis). Keywords: Azo-thiosemicarbazone ligand, characterisation, Metal complexes, microbial evaluations.]]>
