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Journal : JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA

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.
Perbandingan Metode Sintesis Senyawa 1-benzil-3-(4-etil-benzoil)urea dan 1-benzil-3-(4-klorometil-benzoil)urea sebagai Calon Obat Antikanker Farida Suhud; Daryono Hadi Tjahjono; Tegar Achsendo Yuniarta; Galih Satrio Putra; Melanny Ika Sulistyowaty
JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA Vol. 8 No. 3 (2021): JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA
Publisher : Universitas Airlangga

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20473/jfiki.v8i32021.277-283

Abstract

Pendahuluan: Pengembangkan obat antikanker yang selektif dari turunan hidroksiurea masih diteliti sampai saat ini. Tujuan: Penelitian ini bertujuan untuk membandingkan metode sintesis senyawa turunan hidroksiurea yaitu 1-benzil-3-(4-etil-benzoil)urea dan 1-benzil-3-(4-klorometil-benzoil)urea. Metode: Optimasi metode sintesis yang dilakukan dengan membandingkan produk hasil sintesis dengan pemanasan refluks dan tanpa pemasanan refluk. Produk yang didapat dilakukan analisis elusidatif meliputi FTIR, 1H-NMR dan 13C-NMR. Hasil: berdasarkan hasil perbandingan metode sintesis menggunakan refluks menyebabkan terbentuknya dua produk samping sehingga perlu dilakukan pemisahan dengan kromatograsi kolom antara produk utama dengan dua produk sampingnya. Metode tanpa pemasanan lebih dipilih karena tidak menghasilkan dua produk hasil samping walaupun rendemen masih dalam rentang 20-30%. Kesimpulan: Metode sintesis senyawa turunan 1-benzil-3-benzoilurea lebih direkomendasikan tanpa pemasanan daripada menggunakan pemanasan refluks, tetapi penelitian kedepannya harus didapatkan metode yang lebih baik untuk mendapatkan rendemen yang lebih besar.