Molecular docking of asymmetric cinchona alkaloids derivatives as new spectrum biological activities antidiabetic agent

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...

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Bibliographic Details
Main Authors: Ernawatia, Teni, Triana, Desita, Widyarti, Galuh, Megawati, Megawati, Sundowo, Andini, Lotulung, Puspa Dewi N.
Format: Conference Proceeding
Language:English
Subjects:
Alkaloids
Antiinfectives and antibacterials
Asymmetry
Computer simulation
Derivatives
Free energy
Glucosidase
Homology
Microorganisms
Modelling
Molecular docking
Molecular interactions
Proteins
Selectivity
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Summary: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.
ISSN:0094-243X
1551-7616
DOI:10.1063/1.5064305