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All Journal The Journal of Pure and Applied Chemistry Research Indonesian Journal of Pharmaceutical Science and Technology
Teni Ernawati
Indonesian Institute of Sciences (LIPI)
Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Materials Science & Nanotechnology Medicine & Pharmacology

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Structure Modification of Quinine on C-9 Hydroxyl Group via Esterification Reaction Teni Ernawati; Minarti Minarti; Puspa Dewi Narrij Lotulung
The Journal of Pure and Applied Chemistry Research Vol 9, No 1 (2020): Edition January-April 2020
Publisher : Chemistry Department, The University of Brawijaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21776/ub.jpacr.2020.009.01.505

Abstract

Concept the role played by modified quinine in the asymmetric hydroxyl group inspired studies of modified quinine as chiral organic that lead to drug discovery development. A simple and efficient method for C-9 alkylation and arylation of quinine derivatives was reported. Series quinine derivatives were synthesized through the esterification of the hydroxyl group of quinine. The reaction with various alkyl and aryl carbonyl chloride resulted in the series of ester quinine derivatives. The structure of quinine derivatives was characterized by IR, melting point, UV, 1H NMR, 13C NMR, LCMS.
Molecular Docking Simulation of Cinchona Alkaloids Derivatives as Anti-cancer Agent Teni Ernawati
Indonesian Journal of Pharmaceutical Science and Technology Suppl. 2, No. 2 (2019)
Publisher : Indonesian Journal of Pharmaceutical Science and Technology

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (463 KB) | DOI: 10.24198/ijpst.v1i2.20203

Abstract

One of the triggers of breast cancer is the estrogen hormone. Estrogen α receptors play a role in breast development and growth. Estrogen receptors as molecular targets have been widely reported. Cinchona alkaloids have been known to function as anti-malarial, but recent studies have shown that cinchona alkaloids have other potentially such as anti-cancer, anti-tumor, anti-microbial, anti-HBV, anti-inflammatory, anti-oxidant, anti-obesity. Cinchona alkaloids have been developed as anti-cancer agent. They have comparable reactivity and selectivity of cinchona alkaloids functional to anti-cancer agent. In this study, molecular modeling has been performed on forty-four cinchona alkaloid derivatives. These cinchona alkaloids derived compounds have been evaluated as anti-cancer agent. Herein, we observed molecular interactions between selectivity of cinchona alkaloids with estrogen α receptors (ER-α). The docking simulation showed 3 cinchona alkaloids derivatives (cinchonine 2-chlorobenzoate, cinchonidine benzoate and cinchonine 2-(4-hydroxyphenyl) acetate) have lower free energy Gibs and and low kinetic inhibition compared to tamoxifen (as standard commercial) and there are 14 compounds that have relatively the same activity as tamoxifen from 44 alkaloid chincona derivatives.Keywords: cinchona alkaloids derivatives, quinine, quinidine, cinchonine, cinchonidine, anti-cancer, molecular docking
Co-Authors Minarti Minarti Puspa Dewi Narrij Lotulung