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All Journal Journal of Mathematical and Fundamental Sciences Indonesian Journal of Biotechnology UNEJ e-Proceeding Berkala Kedokteran Panrita Abdi - Jurnal Pengabdian pada Masyarakat Universa Medicina JPSCR : Journal of Pharmaceutical Science and Clinical Research JURNAL ILMU KEFARMASIAN INDONESIA Jurnal Abdi: Media Pengabdian Kepada Masyarakat Jurnal Layanan Masyarakat (Journal of Public Service) Jurnal Sains dan Kesehatan Borneo Journal of Pharmacy
Suko Hardjono
Fakultas Farmasi Universitas Airlangga
Agriculture, Biological Sciences & Forestry Humanities Astronomy Biochemistry, Genetics & Molecular Biology Chemistry Decision Sciences, Operations Research & Management Earth & Planetary Sciences Education Environmental Science Health Professions Immunology & microbiology Languange, Linguistic, Communication & Media Materials Science & Nanotechnology Mathematics Medicine & Pharmacology Physics Public Health Social Sciences Other

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Journal : JURNAL ILMU KEFARMASIAN INDONESIA

 1 
Prediksi Sifat Farmakokinetik, Toksisitas dan Aktivitas Sitotoksik Turunan N-Benzoil-N’-(4-fluorofenil)tiourea sebagai Calon Obat Antikanker melalui Pemodelan Molekul SUKO HARDJONO
JURNAL ILMU KEFARMASIAN INDONESIA Vol 14 No 2 (2016): JIFI
Publisher : Fakultas Farmasi Universitas Pancasila

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Abstract

Merancang obat baru dapat dilakukan melalui modifikasi struktur yaitu dengan mengubah gugus tersubstitusi yang menyebabkan perubahan sifat fisikokimia, farmakokinetik, toksisitas dan aktivitas masing-masing senyawa. Perubahan tersebut dapat diprediksi melalui uji in silico. Penelitian ini bertujuan untuk memprediksi sifat fisikokimia, proses farmakokinetik (ADME), toksisitas dan aktivitas sitotoksik dari 23 senyawa turunan N-benzoil-N’-(4-fluorofenil)tiourea sebagai calon obat anti kanker. Uji in silico dilakukan dengan cara doking senyawa yang akan diprediksi aktivitasnya dengan enzim target SIRT1 kode pdb. 4I5I. Hasil doking berupa energi ikatan yang digambarkan dengan nilai Rerank Score (RS), dengan menggunakan program Molegro Virtual Docker. Senyawa dengan nilai RS kecil diprediksi mempunyai aktivitas yang besar. Hasil uji in silico menggunakan program pkCSM dan Protox online tool dapat disimpulkan bahwa sebagian besar turunan N-benzoil-N’-(4-fluorofenil)tiourea mempunyai sifat farmakokinetik yang baik, menimbulkan toksisitas yang relatif rendah dan mempunyai aktivitas sitotoksik yang lebih besar dari ligan pembanding 4I5_601, dan senyawa N-(4-fenilazobenzoil)-N’-(4-fluorofenil)tiourea merupakan senyawa yang diprediksi mempunyai aktivitas sitotoksik paling besar.
Pemodelan Molekul, Sintesis dan Penentuan Aktivitas Antineoplastik 1-(4-Trifluorometilbenzoiloksi)Urea SUKO HARDJONO
JURNAL ILMU KEFARMASIAN INDONESIA Vol 14 No 1 (2016): JIFI
Publisher : Fakultas Farmasi Universitas Pancasila

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Abstract

To design new drugs, physical-chemical characteristics of drug molecules can be predicted by in silico test before drugs are synthesized. Ribonucleotide reductase is the main target or receptor of antineoplastic compounds such as hydroxyurea (HU) and its derivatives like 1-(4-trifluoromethylbenzoyloxy)urea or 4-CF3BOU. This compound forms a complex with crystal structure of ribonucleotide reductase I enzyme, which is 2EUD. The hydrogen bond and bond energy in the form of rerank score from both complexes was calculated with Molegro program. Theoretically, compound activity is indicated by rerank score. The compound whose rerank score is small is predicted to have greater activity. The activity of 4-CF3BOU was found to be greater than HU. The reaction mechanism of synthesis 4-CF3BOU was the substitution of nucleophilic hydroxyl group from HU to carbonyl group of 4–trifluoromethylbenzoyl chloride (4-CF3BCl). Purity test was conducted using TLC and melting point. Structure identification was performed based on the spectra of UV-VIS, FT-IR, H/C-NMR and MS. In this study, 4-CF3BOU was discovered to have antineoplastic activity with the IC50 value of 82.37 μg/mL and was tested towards HeLa cells. On the other hand, HU had the IC50 value of 430.21 μg/mL. The antineoplastic activity of 4-CF3BOU was greater than HU.
Co-Authors Aguslina Kirtishanti Andayani, Rina Asri Darmawati Bambang Tri Purwanto Burhan Ma’arif Burhan Ma’arif Denis Mery Mirza Dewi Isadiartuti Dian Triwidiandany Diyah, Nuzul Wahyuning Faisal Akhmal Muslikh Herra Studiawan I Gusti Ayu Adhi Aryapatni I NYOMAN WIJAYA Isnaeni isnaeni, isnaeni isnaeni Iwan Sahrial Hamid Juni Ekowati Mangestuti Agil Mangestuti Agil Maria Lucia Ardhani Dwi Lestari Muhammad Yuwono Muhammad Yuwono Muhammad yuwono Muhammad yuwono, Muhammad Yuwono Muhammad Yuwono Noor Erma Nasution Noor Erma Nasution Sugijanto Noorma Rosita Purbosari, Ira Randiman, Sugijanto Sugijanto Reyhan Rahma Samudra Siswandono, Siswandono Sugijanto Sugijanto Sugijanto Sugijanto Randiman Sugijanto, Noor Erma Nasution Noor Erma Nasution Tri Widiandani Tristiana Erawati Virnanda Syafira Hartatiningrum Widji Soeratri Wiwied Ekasari Zulvikar Syambani Ulhaq