ANALISIS HKSA SENYAWA TURUNAN 4-FENOKSIPIRIMIDIN-5KARBOKSIAMIDA SEBAGAI ANTIDIABETIK MENGGUNAKAN METODE AM1

Anjar Purba Asmara

Abstract


Penelitian bertujuan untuk memodelkan senyawa turunan 4-fenoksipirimidin-5-karboksamida dan menentukan persamaan HKSA yang dihasilkan. Penelitian ini menggunakan metode semiempirik AM1 karena tingkat ketelitiannya cukup tinggi dan waktu perhitungannya relatif cepat. Metode statistika yang digunakan untuk pemilihan deskriptor yang berhubungan dengan aktivitas biologis senyawanya adalah analisis multilinear regression (MLR) karena jumlah deskriptornya relatif banyak. Pemodelan dalam penelitian ini menghasilkan satu model persamaan dengan rincian sebagai berikut:

-log EC50 = -47.95 + (71.322*qCl7) + (15.357*qC10) + (-169.512*qC11) + (1.955*qC23) + (0.493*EH) + (-0.612*log P) + (-0.017*α) + (146.598*grad) + (0.018* ΔHf)

n = 14; r = 1.000; r2 = 1.000; adjusted r2 = 1.000; PRESS = 8.706

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DOI: http://dx.doi.org/10.20527/jstk.v13i2.6432

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Department of Chemistry
Faculty of Mathematics and Natural Sciences
Universitas Lambung Mangkurat
Jl. A. Yani KM. 36 Banjarbaru 70714, Indonesia
Email: [email protected]
ISSN: 1411-1616 E-ISSN: 2549-8215

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