Acta Chimica Asiana
Vol. 2 No. 2 (2019)

QSAR treatment of meisoindigo derivatives as a potentbreast anticancer agent

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)

Article Info

Publish Date
15 Aug 2019

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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Journal Info
Acta Chimica Asiana
Website

Abbrev

ACA

Publisher

Universitas Mataram

Subject

Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Energy Materials Science & Nanotechnology

Description

Acta Chimica Asiana (online ISSN 2550-0503, print ISSN 2550-049x) is a peer-reviewed, open access journal that publishes high-quality original research articles as well as review articles and short communication in all areas of Chemistry, including Chemical Education and Chemical Engineering. The ...