ANALISIS QSAR SENYAWA TURUNAN MEISOINDIGO SEBAGAI ANTIKANKER PAYUDARA

Authors

  • Agus Dwi Ananto Universitas Mataram

DOI:

https://doi.org/10.22373/amina.v1i1.7

Keywords:

QSAR, PM3, Meisoindigo, Anticancer

Abstract

Quantitative Structure and Relationship (QSAR) of meisoindigo derivative compounds was successfully carried out. The purpose of this study was to find out the best model of meisoindigo derivative compounds as breast anticancer. The research method of this research using the semiempirical PM3 method. The semiempirical method of PM3 was chosen as a better method because it has model results that more represent physicochemical aspects. The selection of the best mathematical model is done by multilinear regression statistical analysis of the calculation data obtained. The results of this study formulate model 5 as the best model with a formula Log 1/IC50 = 44.316 + (-0.0000282*Eis.at) + (-0.257*µ) + (-0.054*LogP) + (0.014*EH) + (-7.241*qC6) + (-1.734*qC9) + (25.711*qO10) + (7.309*qN11) + (94.825*qC13) + (58.794*qO14) + (5.866*qC15)

References

Ananto, A.D. (2018). Desain Senyawa Turunan Fluorokuinolon Baru Sebagai Zat Anti Bakteri S. typhimurium Via Komputasi Kimia. http://jku.unram.ac.id/article/view/172/120
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Kemenkes RI. 2016. Infodatin Pusat Data dan Informasi Kementerian Kesehatan RI Kanker Payudara. Jakarta : Kementerian Kesehatan RI.
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Published

2019-04-30

Issue

Vol. 1 No. 1 (2019): April 2019

Section

Articles

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