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Analysis of a Quantitative Relationship Between the Structure and Analgesic Activity of Meperidin Derivatives Using Semi-Empirical AM1 Method
Abstract
This research aims were to analize a quantitative relationship between the structure and analgesic activity of meperidine derivatives and to determine the Hansch equation between meperidine derivatives and their analgesic activity. The study was done by computer calculation (in sillico) using semiempirical method of AM1. The first stage was molecules modelling of meperidine derivative compounds, followed with performing the process of geometric optimization. The second step was to determine the descriptor value in the form of electronic, steric, and hydrophobic descriptors. The last stage was done by statistics analysis using multiple regressions with backward model. The results showed that analgesic activity was significantly influenced by variation of descriptors, especially electronic descriptor which has more dominant influence than steric and hydrophobic descriptors. The most influential descriptor is the charge on N atoms, since N atoms are an important component in analgesic compounds.
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Tjay, T.H., & Rahardja, K., Obat-obat Penting. Jakarta: PT Gramedia, 2007.
R. Satpathy et al., “Computational QSAR analysis of some physiochemical and topological descriptors of Curcumin derivatives by using different statistical methods”, J. Chem. Pharm. Res., vol. 2, no. 6, pp. 344-350, 2010.
A. Saputra et al., “Aplikasi regresi komponen utama untuk analisis hubungan kuantitatif struktur-aktivitas antikanker senyawa turunan nafto-quinon”, Molekul, vol. 8, no. 2, pp. 111-122, 2013.
E. Vaulina Y. D. et al., “Hubungan kuantitatif struktur-aktivitas (HKSA) antikanker senyawa turunan kalanon dengan metode semi empiris PM3 (Parameterized Model 3)”, Molekul, vol. 7, no. 2, pp. 130-142, 2012.
I. Tahir et al., “Analisis Hubungan Kuantitatif Struktur dan Aktivitas Antitoksoplasma Senyawa Analog Kuinolon Menggunakan Deskriptor Teoritik” Jurnal Sains dan Terapan Kimia, vol. 6, no. 2, pp. 139-153, 2012.
Wilson & Gisvold, Kimia Farmasi dan Medisinal Organik. Terj. Drs. Achmad Mustofa Fatah, Apt., Semarang, IKIP Semarang Press, 2004.
L. Hoelz V.B. et al., “Quantitative structure-activity relationships of anti-oxidant phenolic compounds”, J. Chem. Pharm. Res., vol. 2, no. 5, pp. 291-306, 2010.
Budiyono, Statistika untuk Penelitian, Surakarta, UNS Press. 2009.
H. Pranowo D. et al., “Hubungan Kuantitatif Struktur Elektronik dan Aktivitas Inhibisi Senyawa Kurkumin pada Reaksi Etoksiresorufin O-Dealkilasi (EROD)”, Indo. J. Chem., vol. 7, no. 1, pp. 78-82, 2007.
Fahelelbom, K.M.S., & Al-Tabakha, M., “Quantitative structure activity relation-ship studies for new anti-microbial N2-substituted phenazines”, Afr. J. Pharm. Pharmacol., vol. 3, no. 2, pp. 47-50, 2009.
Scotti, M.T. et al., “Quantitative structure–activity relationship of sesqui-terpene lactones with cytotoxic activity", Bioorg. Med. Chem., vol. 15, pp. 2927–2934, 2007.
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