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Original Article

J App Pharm Sci. 2015; 5(4): 065-073


Potential Activity of Some Natural products Compounds as Neuraminidase Inhibitors Based on Molecular Docking Simulation and In Vitro Test

Muchtaridi Muchtaridi, Ady Aliyudin, Holis Abdul Holik.




Abstract

Neuraminidase (NA) plays an important role in replication and the release of a new avian influenza virion. The aim of this study was to identify the new neuraminidase inhibitors using molecular docking simulation based on virtual screening from natural products compounds. Molecular docking simulation was performed on 113 herb compounds along with zanamivir and oseltamivir as the control ligands. The result showed that the best interaction against of neuraminidase N1 and N1 mutant from herbs compound is katsumadain-A with free energy value -7,54 kcal/mol and -7,46 kkal/mol, respectively. This in silico results also was proved by in vitro MUNANA assay.

Key words: Key words: Nueramindase, Molecular Docking Simulation, Autodock, Katsumadain






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