PENAPISAN MAYA METABOLIT SEKUNDER TANAMAN OBAT INDONESIA TERHADAP XANTIN OKSIDASE
Abstract
Virtual screening (penapisan maya) merupakan salah satu metode komputasi untuk menemukan senyawa yang paling berpotensi mengikat protein target tertentu. Pada penelitian ini basis data struktur metabolit sekunder tanaman obat Indonesia yang telah dipreparasi ditapiskan pada model farmakofor yang telah divalidasi secara in silico. Hasil penapisan maya menunjukkan terdapat 10 metabolit sekunder yang dinyatakan sebagai hits dan direkomendasikan sebagai kandidat inhibitor xantin oksidase secara in silico, yakni Resorcinol, Phloroglucinol, Pyrogallol, Pyrocathechol, Butein, Benzyl Salicylate, Okanin, 7-Methoxycoumarin, 4-Hydroxybenzaldehyde dan 4-Hydroxybenzoic Acid.
Kata kunci: penapisan maya, xantin oksidase, metabolit sekunder, farmakofor dan hits.
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Afrianti, L. H., Sukandar, E. Y., Ibrahim, S. Dan Adnyana, I. K. 2010. Senyawa Asam 2-Metilester-1-H-Pirol-4-Karboksilat dalam Ekstrak Etil Asetat Buah Salak Varietas Bongkok sebagai Antioksidan dan Antihiperurisemia. J.Teknol dan Industri Pangan. 21(1): 66-72.
Agromedia Redaksi. 2008. Buku Pintar Tanaman Obat. Agromedia Pustaka. Jakarta.
Ahmed, R. M., Sastry, G. V., Bano, N., Ravichandra, S., and Raghavendra, M. 2011. Synthesis and Cytotoxic, Antioxidant Activities of New Chalcone Derivatives. Rasayan Journal Chem. 4(2): 289-294.
Aspan, R.. 2008. Taksonomi Koleksi Tanaman Obat Kebun Tanaman Obat Citeureup. Badan Pengawas Obat dan Makanan Republik Indonesia. Jakarta.
Badan Penelitian dan Pengembangan Kesehatan. 2013. Riset Kesehatan Dasar (RISKESDAS). Kementrian Kesehatan Republik Indonesia. Jakarta. http://www.depkes.go.id/resources/download/general/Hasil%20Riskesdas%202013.pdf. Diakses pada 6 Agustus 2017 Pukul 14:27 WIB.
Bose, P. K. & Roy, A. C. 1936. The Constitution of Ayapanin. J. Indian Chem. Soc. 13: 586–587.
Brink, T. T., & Exner, T. E. 2010. pKa Based Protonation States and Microspecies for Protein-Ligand Docking. J. Comput. Aided Mol. Des. 49: 1535-1546.
Burkert, U. & Allinger, N. L. 1982. Molecular Mechanics. American Chemical Society. Washington DC.
Cao, H., Pauff, J. M. & Hille, R. 2010. Substrate Orientation and Catalytic Specificity in the Action of Xanthine Oxidase. The Journal of Biological Chemistry. 285 (36): 28044–28053.
Chem Viz. 2000. An Introduction to Geometry Optimization. The Shodor Education Foundation, Inc. Durham.
Chen, I-Jen & Nicolas, F. 2011. Is Conformational Sampling of Drug-like Molecules a Solved Problem?. Drug Development Research. 72: 85–94.
Dalimartha Setiawan. 1999. Atlas Tumbuhan Obat Indonesia Jilid 1. Pustaka Bunda. Jakarta.
Dalimartha Setiawan. 2000. Atlas Tumbuhan Obat Indonesia Jilid 2. Pustaka Bunda. Jakarta.
Dalimartha Setiawan. 2003. Atlas Tumbuhan Obat Indonesia Jilid 3. Pustaka Bunda. Jakarta.
Dalimartha Setiawan. 2006. Atlas Tumbuhan Obat Indonesia Jilid 4. Pustaka Bunda. Jakarta.
Dalimartha Setiawan. 2008. Atlas Tumbuhan Obat Indonesia Jilid 5. Pustaka Bunda. Jakarta.
Departemen Kesehatan Republik Indonesia. 2008. Farmakope Herbal Indonesia. Departemen Kesehatan Republik Indonesia. Jakarta.
Dipiro, J., Talbert, L., Yee, C., Matzke, R., Wells, G., & Posey, L. 2008. Pharmacotherapy, Seventh edition. New York: McGraw-Hill Companies, Inc.
Febrinda, A. E., Astawan, M., Wresdiyati, T. & Yuliana, N. D. 2013. Kapasitas Antioksidan dan Inhibitor Alfa Glukosidase Ekstrak Umbi Bawang Dayak. J. Teknol dan Industri Pangan. 24(2): 162-167.
Gastreich, M., Christian L., Hans B. & Matthias R. 2005. Virtual Screening in Drug Discovery. CRC Press. Florida.
Gelbin, A., Schneider, B., Clowney, L., Hsieh, S. H., Olson, W. K. & Berman, H. M. 1996. Geometric Parameters in Nucleic Acids: Sugar and Phosphate Constituents. J. Am. Chem. Soc. 118: 519-529.
Haidari, F., Keshavarz, S. A., Rashidi, M. R. & Shahi, M. M., 2009. Orange Juice and Hesperetin Supplementation to Hyperuricemic Rats Alter Oxidative Stress Markers and Xanthine Oxidoreductase Activity. J. Clin. Biochem. Nutr. 45 (3): 285-291.
Hariana, A. 2013. 262 Tumbuhan Obat dan Khasiatnya. Penebar Swadaya. Jakarta.
Hodgman, T. C., French, A. & Westhead, D. R. 2010. Bioinformatics 2nd ed. Taylor & Francis Group. United Kingdom.
Huang, N., B. K. Shoichet & J. J. Irwin. 2006. Benchmarking Sets for Molecular Docking. J. Med. Chem. 49(23): 6789–6801.
Kelompok Masyarakat Desa Sirnasari. 2008. Tumbuhan Obat Halimun. Yayasan Peduli Konservasi Alam Indonesia. Sukabumi.
Kementrian Kesehatan Republik Indonesia. 2017. Profil Kesehatan Indonesia Tahun 2016. Pusat Data dan Informasi Jakarta.
Ketaren, S. 1985. Pengantar Teknologi Minyak Atsiri. Penerbit Balai Pustaka. Jakarta.
Kouranov, A., Xie, L., Cruz-la, J. D., Chen, L. & Westbrook, J. 2006. The RSCBPDB Information Portal for Structural Genomic. Nucleic Acid Research. 34: 302-305.
Lin, H. C., Tsai, S. H., Chen, C. S., Chang, Y. C., Lee, C. M., Lai, Z. Y. dan Lin, C. M. 2008. Structure–Activity Relationship of Coumarin Derivatives on Xanthine Oxidase-Inhibiting and Free Radical-Scavenging Activities. Biochemical Pharmacology 75. 1416–1425.
Lipinski, C.A. et al. 2001. Experimental and Computational Approaches to Estimate Solubility and Permeability in Drug Discovery and Depelopment Settings. Advanced Drug Delivery Reviews. 46 (1-3): 3-26.
Lipinski, C. A. 2004. Drug Discovery Today: Technologie. 1(4): 337-341.
Martoharsono, S. 1984. Biokimia. Jilid I. Yogyakarta. UGM Press.
Mas Jaya Putra, A. 2010. Pharmacophore Modeling of GPCR and CYP2D6 Ligands. Vrije Universiteit. Netherlands.
Misnadiarly, A. S. 2008. Mengenal Penyakit Arthritis. http://perpustakaan.depkes.go.id:8180/ bitstream/123456789/603/23/y%20. Diakses pada 10 Mei 2017 Pukul 10:49 WIB.
Murray, R. D. H., Mendez, J. & Brown, S. A. 1982. The Natural Coumarins. Wiley Interscience. New York. pp 1–702.
Murray, R. K., Granner, D. K. & Rodwell, V. W. 2006. Biokimia Harper. Terjemahan dari Harper’s Illustrated Biochemistry 27thed oleh Brahm Udan Nanda Wulandari. Penerbit Buku Kedokteran ECG. Jakarta. 65-77.
Oprea. T. I., Bologa, C. & Olah, M. 2005. Virtual Screening in Drug Discovery. CRC Press. Florida.
Perola, E., Walters, W. P. & Charifson, P . S. 2005. In J. Alvarez, & B. Shoichet: Virtual Screening in Drug Discovery (p. 5). Taylor & Francis Group. Boca Raton.
Priyanto. 2008. Farmakologi dan Terminologi Medis. Lembaga Studi dan Konsultasi Farmakologi. Jakarta.
Pudjaatmaka, A. H. 2002. Kamus Kimia. Balai Pustaka. Jakarta.
Rapp, C. S., C. Schonbrun, M. P. Jacobson, C. Kalyanaraman, & N. Huang. 2009. Automated Site Preparation in Physics-based Rescoring of Receptor Ligand Complexes. Proteins. 77(1): 52–61.
Setyoningsih, R. 2009. Faktor-Faktor yang Berhubungan dengan Kejadian Hiperurisemia pada Pasien Rawat Jalan RSUPDr.Kariadi Semarang. Skripsi. Universitas Diponegoro. Semarang.
Shukor, N. A. A., Ablat, A., Muhamad, N. A. & Mohamad, J. 20018. In Vitro Antioxidant and In Vivo Xanthine Oxidase Inhibitory Activities of Pandanus amaryllifolius in Potassium Oxonate-Induced Hyperuricemic Rats. International Journal of Food Science and Technology.
Sigma-Aldrich. 2017. About Us. Merck KGaA. United States.
Simanjuntak, K. 2012. Peran Antioksidan Flavonoid dalam Meningkatkan Kesehatan. Bina Widya. 23(3): 135-140.
Sotriffer Christoph., R. Mannhold., H. Kubinyi., & G. Folkers. 2011. Virtual Screening: Principles, Challenges, and Practical Guidelines. Wiley-VCH Verlag & Co. KgaA. Germany.
Surahman, A., Subandi & Muntholib. 2013. Uji Fitokimia dan Daya Inhibisi Ekstrak Daun Sendok (Plantago major) dan Buah Srikaya (Annona squamosa L.) Terhadap Aktivitas Xantin Oksidase. Skripsi. Universitas Negeri Malang. Malang.
Syahdi, R. R. 2011. Penapisan Virtual Basis Data Senyawa Tanaman Obat Di Indonesia Sebagai Inhibitor Enzim-enzim HIV-1. Tesis. Universitas Indonesia. Depok.
Tennant, R. 2007. Bioinformatics For Dummies 2nd Edition. Wiley Publishing, Inc. Indiana.
Trubus. 2013. 100 Plus Herbal Indonesia. Trubus Swadaya. Jakarta.
Umamaheswari, M., Madeswaran, A. & Asokkumar, K. 2013. Virtual Screening Analysis and In Vitro Xanthine Oxidase Inhibitory Activity of Some Commercially Available Flavonoids. Iranian Journal of Pharmaceutical Research. 12(3); 317-323.
Umamaheswari, M., Madeswaran, A., Asokkumar, K., Sivashanmugam, T., Subhadradevi, V. & Jagannath, P. 2011. Discovery of Potential Xanthine Oxidase Inhibitors Using In Silico Docking Studies. Der Pharma Chemica. 3(5): 240-247.
Umamaheswari, M., Madeswaran, A., Asokkumar, K., Sivashanmugam, T., Subhadradevi, V. & Jagannath, P. 2011. In Silico Docking Studies and In Vitro Xanthine Oxidase Inhibitory Activity of Commercially Available Flavonoids and Polyphenolic Compounds. Journal of Pharmacy Research. 4(10); 3460-3462.
Vermerris, W. & Nicholson, R. 2006. Phenolic Compoud Biochemistry. Spinger. Netherlands.
Wang, Y., E. Bolton, & S. Dracheva. 2010. An Overview of the PubChem BioAssay Resource. Nucleic Acids Res. 38: D255–D266.
Wolber, G., Dornhofer, A. A., & Langer, T. 2006. Efficient Overlay of Small Organic Molecules Using 3D Pharmacophores. J. Comput Aided Mol. 20(12): 773–788.
Wolber, G. & Langer, T. 2005. LigandScout: 3-D Pharmacophores Derived from Protein-Bound Ligands and Their Use as Virtual Screening Filters. J. Chem. Inf. Model. 45(1): 160-169.
Wolff, M. E. 1996. Burgers Medicinal Chemistry and Drug Discovery 5th Edition Volume 1: Principles and Practice. Wiley-Interscience. New York.
Xie, X. Q. 2010. Exploiting PubChem for Virtual Screening. NIH Public Access.
Yakar, R. 2013. Pharmacophore-Based Screening And Docking For The Discovery Of Novel Antagonists Of Beta-2Adrenergic Receptor. Thesis. Kadir Has University. Istambul.
Yang, Guang-Fu. 2015. Tripos Mol2 File Format. The Yang Group. China.
Zumdahl, S. S. 1986. Chemistry. Heath. Lexington.
DOI: https://doi.org/10.52447/inspj.v3i1.1905
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