Cinchona alkaloids have been known to function as antimalarial, 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. Asymmetric cinchona alkaloids have been developed as antidiabetic agent. They have comparable reactivity and selectivity of asymmetric cinchona alkaloids functional to antidiabetic agent. In this study, molecular modeling has been performed on forty-four cinchona alkaloid derivatives. These cinchona alkaloids derived compounds have been evaluated as α-glucosidase inhibitors. Herein, we observed molecular interactions between selectivity of asymmetric cinchona alkaloids with α-glucosidase enzyme derived from GANC-human. We had compared selectivity of asymmetric cinchona alkaloids functional involving homology modeling of the target protein and the virtual screening with docking simulations in the binding free energy function.
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7 November 2018
PROCEEDINGS OF THE 4TH INTERNATIONAL SYMPOSIUM ON APPLIED CHEMISTRY 2018
1–2 November 2018
Banten, Indonesia
Research Article|
November 07 2018
Molecular docking of asymmetric cinchona alkaloids derivatives as new spectrum biological activities antidiabetic agent
Teni Ernawatia;
Teni Ernawatia
a
Medicinal Chemistry Research Group, Research Center for Chemistry Indonesian Institute of Sciences (LIPI), Kawasan Puspiptek
, Serpong Tangerang Selatan, Banten 15314 Indonesia
a)Corresponding author: [email protected]
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Desita Triana;
Desita Triana
Medicinal Chemistry Research Group, Research Center for Chemistry Indonesian Institute of Sciences (LIPI), Kawasan Puspiptek
, Serpong Tangerang Selatan, Banten 15314 Indonesia
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Galuh Widyarti;
Galuh Widyarti
Medicinal Chemistry Research Group, Research Center for Chemistry Indonesian Institute of Sciences (LIPI), Kawasan Puspiptek
, Serpong Tangerang Selatan, Banten 15314 Indonesia
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Megawati Megawati;
Megawati Megawati
Medicinal Chemistry Research Group, Research Center for Chemistry Indonesian Institute of Sciences (LIPI), Kawasan Puspiptek
, Serpong Tangerang Selatan, Banten 15314 Indonesia
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Andini Sundowo;
Andini Sundowo
Medicinal Chemistry Research Group, Research Center for Chemistry Indonesian Institute of Sciences (LIPI), Kawasan Puspiptek
, Serpong Tangerang Selatan, Banten 15314 Indonesia
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Puspa Dewi N. Lotulung
Puspa Dewi N. Lotulung
Medicinal Chemistry Research Group, Research Center for Chemistry Indonesian Institute of Sciences (LIPI), Kawasan Puspiptek
, Serpong Tangerang Selatan, Banten 15314 Indonesia
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a)Corresponding author: [email protected]
AIP Conf. Proc. 2024, 020019 (2018)
Citation
Teni Ernawatia, Desita Triana, Galuh Widyarti, Megawati Megawati, Andini Sundowo, Puspa Dewi N. Lotulung; Molecular docking of asymmetric cinchona alkaloids derivatives as new spectrum biological activities antidiabetic agent. AIP Conf. Proc. 7 November 2018; 2024 (1): 020019. https://doi.org/10.1063/1.5064305
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