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

摘要

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.