QSAR treatment of meisoindigo derivatives as a potentbreast anticancer agent

Authors

  • Evie Kama Lestari Department of Pharmaceutics, University of Mataram
  • Agus Dwi Ananto Department of Pharmaceutics, University of Mataram
  • Maulida Septiyana Chemistry Department, University of Mataram
  • Saprizal Hadisaputra Chemistry Education Division, University of Mataram

DOI:

https://doi.org/10.29303/aca.v2i2.12

Keywords:

QSAR, meisoindigo, anticancer.

Abstract

A quantitative structure-activity relationship (QSAR) analysis of meisoindigo derivatives as a breast anticancer has been carried out. This study aimed to obtain the best QSAR model in order to design new meisoindigo based compounds with best anticancer activity. The semiempirical PM3 method was used for descriptor calculation. The best QSAR model was built using multilinear regression (MLR) with enter method. It was found that there were 19 new meisoindigo derivativeswith better predictive a potent anticancer agent. The best compound was (E)-2-(1-((3-ethylisoxazol-5-yl)methyl)-2-oxoindolin-3-ylidene)-N-(4-methoxyphenyl)acetamide with the value of IC505.31144 x10-15 (μM).

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Published

2019-08-15

How to Cite

Lestari, E. K., Ananto, A. D., Septiyana, M., & Hadisaputra, S. (2019). QSAR treatment of meisoindigo derivatives as a potentbreast anticancer agent. Acta Chimica Asiana, 2(2), 114–121. https://doi.org/10.29303/aca.v2i2.12

Issue

Vol. 2 No. 2 (2019)

Section

Articles

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