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All Journal JURNAL KIMIA SAINS DAN APLIKASI Indonesian Journal of Chemistry Indonesian Journal of Natural Pigments Journal of Multidisciplinary Applied Natural Science Makara Journal of Science Molekul: Jurnal Ilmiah Kimia Bioactivities Bulletin of Chemical Reaction Engineering & Catalysis
Kurniawan, Yehezkiel Steven
Department Of Chemistry, Faculty Of Mathematics And Natural Sciences, Universitas Gadjah Mada
Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Energy Engineering Environmental Science Immunology & microbiology Materials Science & Nanotechnology Mathematics Medicine & Pharmacology Physics Other

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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
Synthesis of Chitosan-based Materials with Ester-benzoate Modification and Its Application as An Antimicrobial Agent Ratnawati, Devi; Wibowo, Risky Hadi; Andini, Vicka; Maryanti, Evi; Kurniawan, Yehezkiel Steven
Journal of Multidisciplinary Applied Natural Science Articles in Press
Publisher : Pandawa Institute

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.47352/jmans.2774-3047.352

Abstract

Microbial infections pose serious threats to human health, emphasizing the need to develop effective antimicrobial materials. This study aims to synthesize, characterize, and evaluate the antimicrobial properties of ester vanillin-benzoate (1) and its chitosan-based composite material (2). Furthermore, the synthesized compound was tested for antibacterial and antifungal activities against Staphylococcus aureus, Bacillus subtilis, Escherichia coli, Pseudomonas aeruginosa, and Candida albicans using the Kirby-Bauer diffusion method. The synthesized compounds were effective against S. aureus and B. subtilis but had minimal action against P. aeruginosa, E. coli, and C. albicans. The formation of the Schiff-base composite could increase its antibacterial activity, indicating a synergistic effect arising from the combination of compound 1 and chitosan.
Co-Authors Abdul Karim Zulkarnain Adhi Dwi Hatmanto Adhiwibawa, Marcelinus Alfasisurya Setya Agus Dwi Ananto, Agus Agustinus Winarno Ahmad Bikharudin Alfanaar, Rokiy Amrulloh, Hanif Andini, Vicka Anggit Fitria Anggraeni, Putri Dian Anita Dwi Puspitasari Arif Cahyo Imawan Arif Cahyo Imawan Awalul Fatiqin Bambang Purwono Chairil Anwar Christyowati Primi Sagita Citrariana, Shesanthi Danny Nur Wahyu Hidayat Devi Ratnawati Diah Kartika Sari Dita Ariyanti Dwi Rahmasari Fatmawati Dwi Siswanta Dyah Iswantini Edi Setiyono Ervan Yudha Ervan Yudha Eti Nurwening Sholikhah Eti Nurwening Sholikhah Eti Nurwening Sholikhah Eti Nurwening Sholikhah Evi Maryanti Fahmi, Muhammad Riza Ghulam Faris Hermawan Faris Hermawan, Faris Fatimi, Hana Anisa Fatmasari, Nela Fitria, Anggit Gerry Nugraha Ghozali, Ali Aulia Hana Anisa Fatimi Harizal Harizal Harno Dwi Pranowo Harno Dwi Pranowo Harno Dwi Pranowo Harno Dwi Pranowo Hefni Effendi Hendra Hendra Hendrik Oktendy Lintang Hidetaka Kawakita Iksen Iksen Indriana Kartini Jeffry Julianus Johan Syafri Mahathir Ahmad Joko Waluyo Jumina Jumina Jumina Jumina Jumina Jumina Jumina Jumina Jumina Jumina Jumina Jumina Kasta Gurning Keisuke Ohto Keisuke Ohto Kesuma, Ruth Febriana Kevin Thomas Krisfian Tata Aneka Priyangga Krisfian Tata Aneka Priyangga Krisfian Tata Aneka Priyangga Krisfian Tata Aneka Priyangga Krisfian Tata Aneka Priyangga Langit Cahya Adi Lathifah Puji Hastuti Leny Yuliati Limpat Nulandaya Lintang, Hendrik Oktendy Marlina, Lala Adetia Masatoshi Maeki Masaya Miyazaki Mizuki Ryu Muhammad Fernadi Lukman Muhammad Idham Darussalam Mardjan Mu’afa Purwa Arsana Nela Fatmasari Nela Fatmasari Nisa, Siti Astika Novik Nurhidayat Nursofia, Baiq Ike Philip Anggo Krisbiantoro Priastomo, Yoga Priyangga, Krisfian Tata Aneka Purnomo, Tantyo Ardy Bintoro Purwantiningsih Sugita Putra, Nicky Rahmana Rahman, Sudarman Ramachandra Rao Sathuluri Rizky Riyami Putri Rizky Riyami Putri Rokiy Alfanaar Shintaro Morisada Tantiana Indriani Thathit Suprayogi Triyono Triyono Tutik Dwi Wahyuningsih Tutik Dwi Wahyuningsih Tutik Dwi Wahyuningsih Vina Aida Roza Wataru Iwasaki Wibowo, Risky Hadi Wibowo, Susalit Setya Yahya Febrianto Yudha Ramanda Yudha, Ervan