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All Journal Jurnal Periodic Jurusan Kimia UNP Jurnal Online Mahasiswa (JOM) Bidang Ilmu Keperawatan Jurnal Online Mahasiswa (JOM) Bidang Teknik dan Sains Jurnal Online Mahasiswa (JOM) Bidang Keguruan dan Ilmu Pendidikan Pendas : Jurnah Ilmiah Pendidikan Dasar Jurnal STEI Ekonomi Maspul Journal of Community Empowerment Kalamuna Enggang: Jurnal Pendidikan, Bahasa, Sastra, Seni, dan Budaya Reputasi: Jurnal Rekayasa Perangkat Lunak Bhakti Nagori (Jurnal Pengabdian kepada Masyarakat) MASALIQ: Jurnal Pendidikan dan Sains Junior Medical Journal Jurnal Manajemen dan Pendidikan Agama Islam Edukasi Elita : Jurnal Inovasi Pendidikan Jurnal Intelek Insan Cendikia Aimmah: Social Sciences Journal Edumaspul: Jurnal Pendidikan
Fitri Amelia
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Religion Agriculture, Biological Sciences & Forestry Arts Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Civil Engineering, Building, Construction & Architecture Computer Science & IT Decision Sciences, Operations Research & Management Economics, Econometrics & Finance Education Energy Engineering Environmental Science Health Professions Languange, Linguistic, Communication & Media Law, Crime, Criminology & Criminal Justice Materials Science & Nanotechnology Mathematics Medicine & Pharmacology Nursing Public Health Social Sciences Other

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Optimasi Formulasi Basis Krim melalui Variasi Perbandingan Jumlah Asam Stearat dan Trietanolamin Suci Reski Utami; Fitri Amelia
MASALIQ Vol 5 No 5 (2025): SEPTEMBER
Publisher : Lembaga Yasin AlSys

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.58578/masaliq.v5i5.7189

Abstract

Cream is a commonly used cosmetic formulation known for its high stability, largely due to the presence of emulsifiers in its oil and water phases, such as stearic acid and triethanolamine. Emulsifiers play a crucial role in maintaining the physical stability of the formulation. This study aims to optimize cream formulations by varying the ratios of stearic acid to triethanolamine, evaluated based on smoothness and adhesiveness parameters. The tested ratio variations included 5/2; 5/2.5; 5/3; 5/3.5; 5/4; 10/2; 10/2.5; 10/3; 10/3.5; 10/4; 15/2; 15/2.5; 15/3; 15/3.5; 15/4; 20/2; 20/2.5; 20/3; 20/3.5; and 20/4, with each formulation tested in triplicate. The results indicated that several combinations met the required standards for smoothness and adhesiveness, including 5/2; 10/2.5; 10/3; 10/3.5; 10/4; 15/2; 15/2.5; 15/3; 15/3.5; 15/4; 20/2.5; and 20/3. Further analysis revealed a strong correlation between smoothness, adhesiveness, and viscosity, with viscosity being directly influenced by the amounts of stearic acid and triethanolamine in the formulation. This study produced a base cream formulation that may serve as a reference for further development, including active ingredient incorporation, quality testing, and evaluation of other physical properties.
Molecular Docking Senyawa Bioaktif Ekstrak Daun Cantigi (Vaccinium varingiaefolium (Blume) Leaves) pada Enzim COX-2 sebagai Anti-Inflamasi Salsa Yosrika Putri; Fitri Amelia
MASALIQ Vol 6 No 1 (2026): JANUARI
Publisher : Lembaga Yasin AlSys

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.58578/masaliq.v6i1.8307

Abstract

The use of natural products as anti-inflammatory agents is becoming increasingly important due to the long-term side effects of synthetic drugs. Cantigi (Vaccinium varingiaefolium), an Indonesian mountain plant species, is known to contain various bioactive compounds. This study aimed to explore the potential of compounds from cantigi leaves as COX-2 enzyme inhibitors using a molecular docking approach. A total of 19 compounds were examined through Lipinski screening, ADMET prediction, and docking against COX-2 (PDB: 6COX). The results showed that eight compounds met all Lipinski parameters and thus have potential to be developed as oral drug candidates, while ADMET analysis indicated that α-bisabolol and 2H-tetrazole possess favorable absorption and distribution profiles with minimal toxicity. Molecular docking analysis revealed that ligand 14 exhibited the highest binding energy (ΔG = –7.8262 kcal/mol) and interacted with the His386 residue, the same binding site as indomethacin, thereby suggesting a potentially similar mechanism of action. This study concludes that several compounds from cantigi leaves have promising potential as natural anti-inflammatory agents. These findings contribute to the development of local phytopharmaceuticals based on computational evidence and provide a foundation for further experimental research in the development of effective and safe herbal medicines.
Studi In Silico Senyawa Bioaktif dalam Madu Tradicia cochinchinensis terhadap SARS-CoV-2 Azizah Risani Rusnel; Fitri Amelia
MASALIQ Vol 6 No 1 (2026): JANUARI
Publisher : Lembaga Yasin AlSys

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.58578/masaliq.v6i1.8347

Abstract

The COVID-19 pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has highlighted the urgent need for effective antiviral agents. Natural products have increasingly attracted attention as potential sources of antiviral compounds due to their structural diversity and relatively favorable safety profiles. This study aimed to evaluate the antiviral potential of bioactive compounds present in Tradicia cochinchinensis honey against the main protease (3CLpro) of SARS-CoV-2 using an in silico approach. Molecular docking procedures were performed on the 3CL protease (PDB ID: 6M2N) and subsequently validated using root mean square deviation (RMSD) analysis. Drug-likeness and pharmacokinetic suitability were assessed based on Lipinski’s Rule of Five and ADMET predictions. Among the 17 compounds tested, luteolin, genistein-O-glucoside, and ellagic acid exhibited the lowest binding free energies (−7.94, −7.74, and −6.11 kcal/mol, respectively), which were comparable to the reference compound ritonavir. Luteolin and ellagic acid showed stable binding conformations with RMSD values below 2 Å, whereas genistein-O-glucoside demonstrated slightly higher conformational flexibility. Further evaluation indicated that luteolin fulfilled Lipinski’s criteria and possessed a more favorable ADMET profile than the other compounds. These findings suggest that luteolin is the most promising candidate among the compounds investigated as a potential inhibitor of the SARS-CoV-2 3CL protease, although validation of its antiviral activity and safety still requires additional in vitro and in vivo investigations.
Potensi Anti-Inflamasi Senyawa Crotalaria Medicaginea terhadap COX-2: Studi In Silico Najla Dhifa Tofanny; Fitri Amelia
MASALIQ Vol 6 No 1 (2026): JANUARI
Publisher : Lembaga Yasin AlSys

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.58578/masaliq.v6i1.8955

Abstract

This study was motivated by the limited number of in silico investigations examining the anti-inflammatory potential of bioactive compounds from Crotalaria medicaginea Lamk, despite the fact that inflammation is a pathological condition largely mediated by the cyclooxygenase-2 (COX-2) enzyme. The study aimed to analyze the potential interactions and binding affinities of bioactive compounds from Crotalaria medicaginea Lamk toward COX-2 as an anti-inflammatory target. A computational research design was employed using an in silico molecular docking approach. The research samples comprised the COX-2 enzyme structure obtained from the Protein Data Bank and bioactive compounds identified from the phytochemical data of Crotalaria medicaginea Lamk. Data were generated through ligand and protein preparation and subsequently analyzed using docking software to determine binding energy values and interaction patterns of amino acid residues at the active site of the enzyme. The results showed that one of the bioactive compounds exhibited stable binding affinity and was able to form interactions at the COX-2 active site, thereby supporting the theory that COX-2 inhibition can attenuate inflammatory responses. The study concludes that the bioactive compounds of Crotalaria medicaginea Lamk have the potential to be developed as anti-inflammatory candidates, with theoretical implications for enriching the literature on the use of medicinal plants based on in silico studies and practical implications as a basis for developing natural anti-inflammatory drugs. This research also opens up opportunities for further in vitro and in vivo studies to confirm the computational findings.
Studi Molecular Docking Senyawa Turunan Benzotiazol Berbasis Oksadiazol sebagai Inhibitor Aldose Reductase Ali Farisan Qisthi; Fitri Amelia
MASALIQ Vol 6 No 3 (2026): MEI
Publisher : Lembaga Yasin AlSys

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.58578/masaliq.v6i3.10015

Abstract

Diabetes mellitus is a chronic metabolic disease that can cause various complications, such as neuropathy, retinopathy, and nephropathy, due to sorbitol accumulation through the polyol pathway. The aldose reductase enzyme plays an important role in this process and is therefore a potential therapeutic target in preventing diabetes complications. This study aimed to evaluate the potential of oxadiazole-based benzothiazole derivative compounds as aldose reductase inhibitors through molecular docking studies and pharmacokinetic analysis. This study was conducted in silico using Molecular Operating Environment (MOE) 2019.0102 software. Molecular docking simulations were performed on the aldose reductase protein (PDB ID: 4JIR) and then analyzed based on binding affinity values, RMSD, ligand–protein interactions, and evaluation of Lipinski’s Rule of Five using SwissADME. The docking validation results showed an RMSD value of 1.279 Å, indicating that the docking method used was valid. The docking results showed that all ligands had good binding energy values in the range of −7.97 to −8.81 kcal/mol. Compounds 1j, 1m, 1d, 1o, and 1n showed the best binding affinity and stable interactions with important residues, such as ASP43, TRP111, TYR209, and SER210. Pharmacokinetic evaluation showed that most compounds met Lipinski’s Rule of Five, indicating good drug-likeness properties. The conclusion of this study emphasizes that oxadiazole-based benzothiazole derivative compounds have the potential to be developed as aldose reductase inhibitor candidates to support further development of antidiabetic therapy. These findings imply the use of an in silico approach as an initial strategy for more efficient screening of antidiabetic compound candidates.
Co-Authors Achie Keylla Alfan Suri Ariwi Ransap Alfanisya Dasma Tri Ananda Alfarezy, Alfy Ali Farisan Qisthi Aminullah Mimi Darwati Andromeda Anis Aufa Khuzaimah Anisa Putri Anjelica Putri Wulandari Tarigan Arlina Arlina Arlina, Arlina Armita Dwi Lestari Aswandi Bahar Ayn Atifa AYU WULANDARI Azizah Risani Rusnel Budhi Oktavia Daroini, Slamet Dedi Irawan Dwi Finna Syolendra Dwi Yudha Lesmana Elvira Alvionita Enny Nazrah Pulungan Faizah Qurrata Aini Fajriah Azra Fasli Jalal Fauzana Gazali Firman Arifandi Hana Nurzakiah Herlan Sutisna, Herlan Hikmatul Ilmi Ika Febriana Indah Ade Lestari Iriani Ismail Iskandar Romey Sitompul Ismail Effendi Nasution Juwita Fitri Khairati Amila Khamdiallah Khamdiallah Melati Wahyuni Meri Novia Nurman Miftahul Khair Minda Azhar Monita Olivia Muhammad Afrizal Nainggolan Muhammad Anhar Muhammad Fitzal Rahman Muhammad Naufal Raihan Ali Mukhlis, Sholehuddin Munifa Mahdiah Mutia Salwa Humairoh Najla Dhifa Tofanny Neliwati Nofri Yuhelman NUR FAUZIYAH QURROTA A’YUN Rahmat Rifai Lubis Rechinta Lovya Junakea Rifka Andani Safri Safri Salsa Yosrika Putri Sri Benti Etika Suci Reski Utami Suryelita Tiar Anggraini Tri Muliyani Ulfa Autafia Vany Dwi Putri Viona Maharani Wan Nishfa Dewi Welni Rahmadani Wilson Wilson Yerimadesi Yulia Haliza Lubis Zonalia Fitriza