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All Journal HAYATI Journal of Biosciences VALENSI CAKRA KIMIA (Indonesian E-Journal of Applied Chemistry) JURNAL KIMIA SAINS DAN APLIKASI Komunikasi Fisika Indonesia Current Biochemistry Jurnal Spektra Omega: Jurnal Fisika dan Pendidikan Fisika Jurnal Fisika FLUX Indonesian Journal of Chemistry KONSTAN - JURNAL FISIKA DAN PENDIDIKAN FISIKA Jurnal Ilmu Fisika Indonesian Physical Review PROSIDING SEMINAR NASIONAL FISIKA (E-JOURNAL) Molekul: Jurnal Ilmiah Kimia
Tony Sumaryada
Department Of Physics, Faculty Of Mathematics And Natural Sciences, IPB University Jalan Meranti Kampus IPB Dramaga, Bogor 16680
Agriculture, Biological Sciences & Forestry Astronomy Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Earth & Planetary Sciences Education Electrical & Electronics Engineering Energy Engineering Materials Science & Nanotechnology Physics Other

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Journal : Current Biochemistry

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Molecular Interaction Analysis of COX-2 against Curcuminoid and Xanthorizol Ligand as Anti Breast Cancer using Molecular Docking Ridho Pratama; Laksmi Ambarsari; Tony Ibnu Sumaryada
Current Biochemistry Vol. 2 No. 3 (2015)
Publisher : IPB University

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Abstract

Breast cancer is one of the most common cancer in the world that occurs in women. Thedevelopment process of cancer is regulated by a variety of pathways that involve various enzymes. COX-2 is an enzyme involved in the inflammatory process in further stages that will play importantroles in breast cancer cells progression. The uses of natural compound from plants give new hope forbreast cancer treatment with minimal side effects. Temulawak is a potential breast cancer drugs because it contains curcuminoid and xanthorizol. Curcumin and xanthorizol has been reported to have chemopreventive effect on colon cancer development. The drug that has same functions of these compounds needed to be examined with various approaches. One of the approach used in this research is molecular docking. Based on ligand analysis with Lipinski and toxicity test using ADMET, curcuminoid and xanthorizol met criteria as medicinal compounds. Curcumin had the highest binding affinity(?G) with the value -9.3 kcal/mol but still under commercial drug celecoxib binding affinity (?G) = -12,5. There were three hydrogen bonds in amino acid Arg106 and Tyr341 His75 which were amino acids in the active side of COX-2. There were 15 amino acids that have similar ties with commercial drug celecoxib. Based on the binding affinity and binding similiarity, curcuminoid and xanthorizol were predicted as compounds that have potential as competitive inhibitor of COX-2 enzyme.
Simulasi Docking Senyawa Kurkumin dan Analognya Sebagai Inhibitor Reseptor Androgen pada Kanker Prostat Arwansyah Arwansyah; Laksmi Ambarsari; Tony I Sumaryada
Current Biochemistry Vol. 1 No. 1 (2014)
Publisher : IPB University

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Abstract

Curcumin, the major compound of Curcuma longa L, has been proven to have the toxicity effect on prostate cancer cell. This research was aimed to study the affinity and interaction of curcumin and its analogs as compettitive inhibitor to androgen hormon before working in vitro/in vivo research. Curcumin and its analogs were transformed into 3D structure, then docked to androgen receptor (3B67). The data of Gibbs energy (?G) value showed stability interaction between ligand and androgen receptor residues. The docking results showed that curcumin and its analogs have potential as inhibitor on androgen receptor. Based on results ?G score, analog 4 (1,7-bis-(3,4-dihydroxy-phenyl)-hepta-1,6-diene-3,5-dione) has highest potential as the inhibitor for androgen receptor.
Co-Authors A. Sulaksono, A. A.M. Nugraha, A.M. Adrian Adiva Agus Kartono Ajeng Widya Roslia Alfi Afifah Anisah Rahajeng Kartika Sari Arwansyah Arwansyah Dadan Hidayatuloh Hidayatuloh, Dadan Husin, Abd. Djamil J.P. Diningrum, J.P. Jaya, Achmad Muharam Kania Nur Sawitri LAKSMI AMBARSARI M.N. Indro Nikmah, Khusniatun Octavia, Shella Salsa Puspa Julistia Puspita Ramadhan, Muhammad Vitro Rhani, Muhammad Fahdillah Ridho Pratama Setyanto Tri Wahyudi Shobiroh Nuur' Alimah Tirta Setiawan V.N.H. Lyjamil Waras Nurcholis Yani, Sitti Zahra Silmi Muscifa