Article Per Year (5 Year)
p-Index From 2020 - 2025
2.42
P-Index
This Author published in this journals
All Journal Journal of Food and Pharmaceutical Science Pharmaciana: Jurnal Kefarmasian Indonesian Journal of Mathematics and Natural Sciences Teknosains: Media Informasi Sains dan Teknologi Alchemy Jurnal Penelitian Kimia Indonesian Journal of Chemistry Journal of Multidisciplinary Applied Natural Science Makara Journal of Science Molekul: Jurnal Ilmiah Kimia Journal of Food and Pharmaceutical Sciences Indonesian Journal of Pharmacology and Therapy
Jumina Jumina
Department of Chemistry, Faculty of Mathematics and Natural Sciences Universitas Gadjah Mada Yogyakarta
Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Civil Engineering, Building, Construction & Architecture Computer Science & IT Control & Systems Engineering Energy Environmental Science Immunology & microbiology Materials Science & Nanotechnology Mathematics Medicine & Pharmacology Neuroscience Physics

Published : 22 Documents Claim Missing Document
Claim Missing Document
Check
Articles

Found 2 Documents
Search
Journal : Molekul: Jurnal Ilmiah Kimia

 1 
Synthesis, Activity Test and Molecular Docking of Novel Nitrophenylcalix[4]-2-methylresorcinarene Derivatives as Antimalarial Agent Nisa, Siti Astika; Jumina, Jumina; Mardjan, Muhammad Idham Darussalam; Kurniawan, Yehezkiel Steven
Molekul Vol 18 No 3 (2023)
Publisher : Universitas Jenderal Soedirman

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20884/1.jm.2023.18.3.7866

Abstract

This research involved the synthesis, antimalarial assay and molecular docking of novel nitrophenylcalix[4]-2-methylresorcinarene derivatives. Calix[4]-2-methylresorcinarene derivatives, i.e., 2N, 3N and 4N, were synthesized in a one-step reaction through the cyclo-condensation reaction between resorcinol and aldehydes, i.e., 2-nitrobenzaldehyde, 3-nitrobenzaldehyde and 4-nitrobenzaldehyde, respectively. The reaction was carried out through the reflux method with ethanol and hydrochloric acid 37% as the solvent and catalyst, respectively. The synthetic products were characterized using FTIR, 1H-NMR, 13C-NMR, and LC-MS spectrometers. Furthermore, the in vitro antimalarial assay was carried out against Plasmodium falciparum strain 3D7. The results showed that the 2N, 3N and 4N compounds were successfully synthesized in 86.4, 78.6 dan 95.7% yield, respectively. The antimalarial activity test of 2N, 3N and 4N gave IC50 values of 2.35, 1.68 and 1.79 µM, therefore, these compounds are classified as active antimalarial agents. Molecular docking performed against the PfLDH receptor showed that the 2N, 3N and 4N compounds had negative binding affinity values of -5.1, -6.1, and -6.0 kcal/mol and had specific interactions in the form of hydrogen bonds to the amino acid residues Arg109, Thr101 and Lys102 in the active site of the receptor. The molecular docking results agreed with the experimental antimalarial assay demonstrating the mechanism of action of nitrophenylcalix[4]-2-methylresorcinarenes as active antimalarial agents happened through the inhibition of the PfLDH receptor.
Synthesis, Molecular Docking, and In Vitro Activity Test of Thioxanthenol and Nitrothioxanthone Derivatives As Anticancer Agents Anggraeni, Putri Dian; Jumina, Jumina; Anwar, Chairil; Kurniawan, Yehezkiel Steven
Molekul Vol 20 No 2 (2025)
Publisher : Universitas Jenderal Soedirman

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20884/1.jm.2025.20.2.10089

Abstract

ABSTRACT. This research aimed to compare, synthesise, study molecular docking, and test the anticancer activity of thioxanthenol, 1-hydroxythioxanthone, 4-nitrothioxanthone, and 2-nitrothioxanthone compounds through in silico and in vitro assays, highlighting their selective cytotoxicity and potential as novel anticancer scaffolds. These four compounds were obtained through reduction and nitration reactions of the thioxanthone. Thioxanthenol compound was obtained through the reduction of thioxanthone using sodium borohydride. The 1-hydroxythioxanthone, 4-nitrothioxanthone, and 2-nitrothioxanthone compounds were obtained from the nitration of thioxanthone compounds. The compounds were characterised using FTIR, GC-MS, 1H-NMR, and 13C-NMR. In vitro cytotoxicity tests were performed using microtetrazolium (MTT) assays against T47D, WiDr, and Hela cancer cell lines and the Vero cell line as normal cells. The molecular docking process was studied to determine the in silico activity of the compounds with protein targets. The reduction reaction produced the thioxanthenol compound as a yellowish-white solid in 40.63% yield. The nitration reaction produced 1-hydroxythioxanthone, 4-nitrothioxanthone, and 2-nitrothioxanthone compounds as light-yellow solids in 33.54%; 29.27%; and 31.71% yield, respectively. The synthesized compounds demonstrated selective anticancer activity against certain cancer cells. Thioxanthenol compound showed an IC50 value of 17.46 µg mL-1 on the WiDr cell line and nitrotioxanthone compound showed an IC50 value of 6.05 µg mL-1 on the T47D cell line. Molecular docking showed that the thioxanthone derivatives might act as the anticancer agent through inhibition of epidermal growth factor receptor (EGFR), P-glycoprotein, and Erα functions. Keywords: anticancer, nitrothioxanthone, thioxanthenol, thioxanthone
Co-Authors Abdul Karim Zulkarnain ADITYA NUGRAHA Agus Dwi Ananto, Agus Alfiyah, Viny Anggraeni, Putri Dian Anita Dwi Puspitasari Chairil Anwar Desi Suci Handayani Dhina Fitriastuti Dwi Aris Agung Nugrahaningsih Dwi Siswanta Eti Nurwening Sholikhah Faris Hermawan, Faris Fatimi, Hana Anisa Fatmasari, Nela Fitria, Anggit Harizal Harizal Harno Dwi Pranowo Hidetaka Kawakita Iin Narwanti Ikhsan Nur Salim Jeffry Julianus Kasta Gurning Keisuke Ohto Kurniawan, Yehezkiel Steven Laela Hayu Nurani Lathifah Puji Hastuti Marlina, Lala Adetia Maulidan Firdaus Maywan Hariono Mia Munawaroh Yuniyanti Muhammad Idham Darussalam Mardjan Muhammad Yusron Maulana El-Yunusi Mustofa . Mustofa Mustofa Nico Frederick Nisa, Siti Astika Nursofia, Baiq Ike Phebe Hendra Pratama, Ardhya Ayu Priastomo, Yoga Priyangga, Krisfian Tata Aneka Putra, Nicky Rahmana RATNA SARI Reinner Ishaq Lerrick Rul Afiyah Syarif S Matsjeh S Mursiti Sabirin Matsjeh Satrio Ardyantoro Sri Juari Santosa Susy Yunita Prabawati Triana Kusumaningsih Wahyu Widyaningsih Wibowo, Susalit Setya Yudha, Ervan