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All Journal Agrokreatif Jurnal Ilmiah Pengabdian kepada Masyarakat Jurnal Farmasi Galenika (Galenika Journal of Pharmacy) Chemistry Indonesian Journal of Chemical Research Jurnal Sinergitas PkM & CSR FaST : Jurnal Sains dan Teknologi CARADDE: Jurnal Pengabdian Kepada Masyarakat International Journal of Community Service Learning Walisongo Journal of Chemistry Molekul: Jurnal Ilmiah Kimia Stannum : Jurnal Sains dan Terapan Kimia Journal of Educational Chemistry (JEC) Jurnal Insan Farmasi Indonesia Prosiding Konferensi Nasional PKM-CSR Molekul: Jurnal Ilmiah Kimia Borneo Journal of Pharmacy
Karnelasatri, .
Universitas Pelita Harapan
Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Control & Systems Engineering Economics, Econometrics & Finance Education Engineering Environmental Science Health Professions Immunology & microbiology Law, Crime, Criminology & Criminal Justice Materials Science & Nanotechnology Medicine & Pharmacology Nursing Physics Public Health Social Sciences

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Journal : Walisongo Journal of Chemistry

 1 
Gas Chromatography-Mass Spectrometry Analysis and α-Glucosidase Inhibitory Activity of n-Hexane Extract of Bilajang Bulu (Merremia Vitifolia) Leaves Candra Yulius Tahya; Karnelasatri Karnelasatri
Walisongo Journal of Chemistry Vol 4, No 2 (2021): Walisongo Journal of Chemistry
Publisher : Department of Chemistry Faculty of Science and Technology Walisongo

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21580/wjc.v4i2.9427

Abstract

One of the most effective treatments for diabetes mellitus is to inhibit α-glucosidase, which inhibits glucose absorption by the epithelium membrane of the small intestine. In South Sulawesi, Indonesia, Merremia vitifolia is used as a traditional medicine for the treatment of diabetes.  The aims of this study are to (1) assess the extract's ability to inhibit α - glucosidase and (2) identify volatile organic compounds in n-hexane of Merremia vitifolia extract. Extraction was conducted by maceration.  The inhibitory activity of quercetin towards α-glucosidase has the IC50 = 2.53 ± 0.16 µg/mL, and by n-Hexane extract of Merremia vitifolia leaves has the IC50 = 14.4 ± 1.52 µg/mL.  Then, n-Hexane extract of Merremia vitifolia leaves has strong α-glucosidase inhibitory activity. The compounds that have been identified based on Gas Chromatography-Mass Spectrometry (GC-MS) analysis with similarity index ≥ 89% which are caryophyllene (0.94%), (E)-β-famesene (4.72%), neophytadiene (9.78%), phytol (65.94%), 9,12,15-octadecatrienoic acid (6.71%), 1,5-cyclodecadiene (6.76%), squalene (4.48%), stigmasterol (4.08%), γ-sitosterol (10.20%), Serratol (23.12%), vitamin E (2.78%) and lup-20(29)-en-3-one (21.04%). Based on a literature study, the presence of phytol, neophytadiene, β-caryophyllene, stigmasterol, γ-sitosterol, and lup-20(29)-en-3-one have contributed to the strong α-glucosidase inhibitory activity of n-Hexane extract of Merremia vitifolia leaves.
MOLECULAR DOCKING OF ANTIBACTERIAL ACTIVITY OF HEXAHYDRO-1,2,3-TRIAZINE DERIVATIVES Tahya, Candra Yulius; Irawati, Wahyu; Karnelasatri, Karnelasatri
Walisongo Journal of Chemistry Vol. 8 No. 2 (2025): Walisongo Journal of Chemistry
Publisher : Department of Chemistry Faculty of Science and Technology UIN Walisongo

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21580/wjc.v8i2.26159

Abstract

Hexahydro-1,3,5-triazine and its derivatives have piqued the interest of numerous researchers due to its strong biological characteristics, which include antibacterial, antimalarial, fungicidal, antiviral, anticancer, antimicrobial, antiamoebic, anti-inflammatory, and antitubercular effects. The antibacterial activity test in this work was performed using molecular docking on 16 hexahydro-1,3,5-triazine derivative compounds and three drug molecule controls that were selected from the PDB database and targeted Penicillin binding protein 2A (PDB ID: 1VQQ). For docking, Pyrx v.1.1's AutodockVina integration was utilized. Docking utilizing the targeted docking strategy was performed using a specific gridbox that was chosen based on the location of significant amino acids and pharmacological controls. The drug potential of a chemical under test is described by the Pa (Probability to be Active) value. The results of the Pa value analysis showed that several hexahydro-1,3,5-triazine derivative compounds had a higher/better average Pa value compared to the control drugs Ceftaroline and Ceftobiprole. Based on the Lipinski rule of five, the analysis's findings indicated that six out of the sixteen test compounds had good drug-likeness features; however, according to Pfizer, every compound possessed these qualities. Nearly all of the drugs exhibited good pharmacokinetics, according to the ADMET study. According to molecular docking results, 13 out of 16 synthesized compounds generally exhibit a high affinity for the PBP2a target protein. Furthermore, four compounds had a higher affinity than the ceftobiprole drug control when compared to the three drug controls. Synthetic compounds, particularly compounds 7, 16, 15, and 1, have the potential to be used as antibacterial therapies, according to the results of QSAR, ADMET, and docking research.
Co-Authors Adila, Mahda Uli Andareas, Pangeran Andriyani Andriyani Anggraeni Anggraeni Beda, Kevin Adithya Candra Y Tahya Cenwira, Wishia Debora S Sitinjak Debora Sitinjak Edi Mikrianto Febbyasi Megawaty Febriani, Fany Friska J. Purba Hardy, Junius Jessica Novia Jessica Novia Jessica Novia Junius Hardy Kelly Sinaga Ken Ayu Maroloan Aruan Megawati, Febbyasi Melanie Cornelia, Melanie Melieta Windi Melisa Saragih Munthe, Sri Wahyu Ningsih Nurhadini Nurhadini Purba, Friska Juliana Purba, Rossa Maranatha Rieswan Pangawira Kurnia Riskianto Riskianto Riskianto Ristika Oktavia Asriza Santoso, Feronia Reni Cyrena sinaga, kelly Sitinjak, Debora S Sitinjak, Debora Suryani Siwardin Harefa Sri Wahyu Ningsih Munthe Tagor M. Siregar Tahya, Candra Y Tahya, Candra Yulius Titiesari, Yovita Diane Trisina, Jessica WAHYU IRAWATI Yacob, Iren Anggreni