JURNAL KIMIA SAINS DAN APLIKASI
Vol 23, No 9 (2020): Volume 23 Issue 9 Year 2020

Design New Compound of Meisoindigo Derivative as Anti Breast Cancer Based on QSAR Approach

Agus Dwi Ananto (Department of Pharmacy, Faculty of Health, University of Mataram Mataram)
Handa Muliasari (Department of Pharmacy, Faculty of Health, University of Mataram Mataram)
Saprizal Hadisaputra (Department of Educational Chemistry, FKIP, University of Mataram Mataram)



Article Info

Publish Date
30 Sep 2020

Abstract

Design new compounds of Meisoindigo using the QSAR approach with semiempirical methods have been successfully made with better biological activity as anti-breast cancer results. The research method used to design the new compound of meisoindigo derivatives uses the semiempirical methods. The research procedure divide into tree step, molecular modeling, QSAR equation analysis, and design of new compounds. The PM3 method was chosen as a better method because it has model results that are more representative of physicochemical aspects. The selection of the best model is made by multilinear regression statistical analysis. New compounds derived from the design are expected to bind to the Cyclin-Dependent Kinase 4 (CDK4) enzyme that helps in the cell cycle to prevent cell division. Based on the design, the compound of (E)-2-(2-oxo-1-(2-(trifluoromethyl) benzyl)indolin-3-ylidene)-N-(quinoline-7-yl) acetamide choose as a new compound with more better biological activity (logĀ 1/IC50 = 6.992) than before (log 1/IC50 = 5.823)

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Journal Info

Abbrev

ksa

Publisher

Subject

Chemical Engineering, Chemistry & Bioengineering Chemistry Engineering

Description

urnal Kimia Sains dan Aplikasi (p-ISSN: 1410-8917) and e-ISSN: 2597-9914) is published by Department of Chemistry, Diponegoro University. This journal is published four times per year and publishes research, review and short communication in field of ...