Analisis Hubungan Kuantitatif Struktur dan Aktivitas untuk Merancang Insektisida Baru Turunan Karbamat Menggunakan Metoda Semiempirik PM3

  • Agus Dwi Ananto

Abstract

A research has been conducted to investigate the HKSA equation model of a set of carbamic derivative insecticidal compounds based on the hydrofobic, electronic and steric descriptors. The descriptors are calculated by a method of PM3 while the the insecticidal activity are obtained by the experiment. The relationship of the descriptos and the activities are determined by multilinear reggression analysis. The result of the analysis then provide a best equation model that can be used to design new carbamic derivative insecticidal compounds. These design might be recommended  to be synthesized in the experimental works.

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References

Armunanto R., (2004). Relation of electronic structures with their antimalarial activities on artemisinin derivatives, Indonesian Journal of Chemistry., 4(3), 212-217.

Tahir, I., Wijaya, K., Purwono, B. & Widianingsih, D. (2003). Analisis QSAR turunan flavon/flavonol sebagai senyawa antiradikal berdasarkan analisis Hansch, Indonesian Journal of Chemistry, 3(1), 48-54.

Istyastono, Perdana, E., Martono, S., Pranowo, H.D. & Tahir, I. (2003). Quantitative structure-activity relationship analysis of curcumin and its derivatives as GST inhibitors based on computational chemistry calculation, Indonesian Journal of Chemistry, 3(3), 179-186.

Jensen, F. (1999). Introduction for Computational Chemistry, second edition, New York, John Willey and Sons, Inc.

Kubinyi, H. (1993). QSAR: Hansh Analysis and Related Approaches, Wienhem, VCH Verlagsgesellshaft.

Mudasir, Iqmal T. & Ida P. A. M. P. (2003). Quantitative Structure and Activity Relationship Analysis of 1,2,4-Thiadiazoline Fungicides Based on Molecular Structure Calculated by Am1 Method, Indonesian Journal of Chemistry.

Naik, P. K., Sindhura, Singh, T. & Singh H. (2009), Quantitative structure–activity relationship (QSAR) for insecticides : Development of predictive in vivo insecticide activity models, SAR. QSAR. Environ. Res., 20(5-6), 551-566.

Pranowo, H. D. (2003), Kimia Komputasi, Yogyakarta, Pusat Kimia Komputasi Indonesia-Austria, Kimia FMIPA UGM.

Teguh, B. P. (2009), Analisis faktor risiko keracunan pestisida organofosfat pada keluarga petani hortikultura di Kecamatan Ngablak Kabupaten Magelang, Tesis S2 Pasca Sarjana, Universitas Diponegoro, Semarang.

Published
2017-12-29
How to Cite
Ananto, A. D. (2017). Analisis Hubungan Kuantitatif Struktur dan Aktivitas untuk Merancang Insektisida Baru Turunan Karbamat Menggunakan Metoda Semiempirik PM3. Al-Kimia, 5(2), 100-108. https://doi.org/10.24252/al-kimia.v5i2.3639
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Article
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