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All Journal Jurnal Farmasi Sains dan Terapan (Journal of Pharmacy Science and Practice) Indonesian Journal of Cancer Chemoprevention MPI (Media Pharmaceutica Indonesiana) INDONESIAN JOURNAL OF PHARMACY JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA Indonesian Journal of Chemistry Berkala Ilmiah Kimia Farmasi Berkala Penelitian Hayati Pharmaceutical Sciences and Research (PSR) Jurnal Farmasi Sains dan Terapan (Journal of Pharmacy Science and Practice)
Tutuk Budiati
Department Of Pharmaceutical Chemistry, Faculty Of Pharmacy Universitas Airlangga, Surabaya
Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Education Health Professions Immunology & microbiology Materials Science & Nanotechnology Medicine & Pharmacology Other

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Journal : JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA

 1 
Design and Molecular Docking Studies of Quinazoline Derivatives as Antiproliferation Anita Puspa Widiyana; Galih Satrio Putra; Luthfi Ahmad Muchlashi; Mellany Ika Sulistyowaty; Tutuk Budiati
JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA Vol. 3 No. 2 (2016): JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA
Publisher : Universitas Airlangga

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (284.943 KB) | DOI: 10.20473/jfiki.v3i22016.44-48

Abstract

Background: Nowadays, a lot of new active substances as anticancer agents have been developed. One of the protein targets of anticancer is selective cyclooxygenase-2 (COX-2). Selective COX-2 is the regulator of cell proliferation. Objective: In this research, quinazoline derivatives were used to design the anticancer agent through a selective COX-2 inhibition. The potential activity of quinazoline derivatives could be increased by substitution in position 2 and 3 of quinazolinone. Molecular docking of selective COX-2 inhibition was required to predict their antiproliferation activity. Methods: The molecular docking of quinazoline derivatives was carried out using Molegro Virtual Docker (MVD) Ver.5.5. Twenty-one of quinazoline derivatives were docked into selective COX-2 with PDB code 3LN1. The interaction was evaluated based on the re-ranked score comparison between quinazoline derivatives with co-crystallized ligand CEL_682. Celecoxib was used as the reference to this research. Results: The result indicated that 18 of 21 quinazoline derivatives showed the approximately re-ranked score -131.508 to -108.418 kcal/mol. Eight of these 18 new quinazoline derivatives have re-ranked score better than Celecoxib. Conclusions: In conclusion, 8 of the new quinazoline derivatives are feasible to be synthesize and performed their in vitro evaluation.
Microwave-assisted Synthesis of Bis(4-hydroxy-3-methoxybenzylidene)cyclopentanone using Ba(OH)2.8H2O as a Base Catalyst Gunawan, Maggie Anastasya; Budiati, Tutuk; Soewandi, Ami
JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA Vol. 13 No. 1 (2026): JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA
Publisher : Universitas Airlangga

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20473/jfiki.v13i12026.12-19

Abstract

Background: Synthetic curcumin analogs have been widely studied due to their pharmacological activity. One of the curcumin analog compounds, namely 2,5-bis(4-hydroxy-3-methoxybenzylidene)cyclopentanone (HM-BCP), which has more potent anti-inflammatory activity than curcumin.. In the synthesis process, the presence of the OH-phenolic group is still a problem to maximize the reaction condition. The use of strong base catalysts may cause unwanted side reactions with the phenolic OH group present in the substrate. Therefore, barium hydroxide was used as the catalyst because it has lower basicity than NaOH, which is commonly used in this reaction. Objective: This study aims to synthesize HM-BCP using Ba(OH)2.8H2O as a catalyst in several concentrations. The reaction was assisted by microwave irradiation. Methods: Synthesis of HM-BCP from cyclopentanone and vanillin via Claisen-Schmidt condensation in alkalis condition. Cyclopentanone, vanillin, and Ba(OH)₂·8H₂O were mixed for 15 min, followed by microwave irradiation (480 W, 10 min). The reaction mixture was stirred for 5 min after each minute of irradiation. The reaction product was analyzed by TLC to determine the area percent ratio of the starting material (vanillin), and HM-BCP. The purity of the synthesized products were tested using TLC and melting point determination, while structure identification by IR and H-NMR spectroscopic methods. Results: The use of 2–4 molEq of Ba(OH)₂ as the catalyst in the synthesis of HM-BCP produced relative percentage areas of 11.4%, 15.8%, and 20.9%, respectively. Conclusion: Barium hydroxide has been shown to act as a catalyst in the synthesis of HM-BCP via Claisen-Schmidt condensation but optimization of reaction conditions is needed.
Co-Authors Adam Hermawan Aline Puspita Kusumadjaja Anita Puspa Widiyana Ardhayanti, Erlina Caroline Catherine Caroline Edy Meiyanto Edy Meiyanto Elisabeth Catherina Widjajakusuma Farida Suhud Galih Satrio Putra Galih Satrio Putra Gunawan, Maggie Anastasya Harry Santosa Ivonne Soeliono Jessica Jessica Jessica, Maria Anabella Juni Ekowati Kholis Amalia Nofianti Luthfi Ahmad Muchlashi Marcellino Rudyanto Melanny Ika Sulistyowaty Mellany Ika Sulistyowaty Ni Nyoman Tri Puspaningsih Nunuk Irawati Nunuk Irawati Putri, Navyanti Firda Sajidan Shigeru Sasaki Shigeru Sasaki Siswandono, Siswandono Siti Surdijati Soewandi, Ami Stephanie D.A. Sukardiman Suzana SUZANA, SUZANA Tegar Achsendo Yuniarta Wahyu Dewi Tamayanti, Wahyu Dewi