ICON-CSE
Vol 1, No 1 (2014)

Molecular Docking on Azepine Derivatives as Potential Inhibitors for H1N1-A Computational Approach

Frimayanti, Neni (Unknown)
Murdiya, Fri (Unknown)
passarella, rossi (Unknown)



Article Info

Publish Date
05 Nov 2015

Abstract

Azepine are an important class of organic compounds. They are effective in a wide range of biological activity such as antifeedants, antidepressants, CNS stimulants, calcium channel blocker, antimicrobial and antifungal properties. In our continue efforts to search for a potent inhibitor for H1N1 virus using molecular docking. In this study, 15 azepine (ligands) derivatives were docked to the neuraminidase of A/Breving Mission/1/1918 H1N1 strain in complex with zanamivir (protein). The Cdocker energy was then calculated for these complexes (protein-ligand). Based on the calculation, the lowest Cdocker interaction energy was selected and potential inhibitors can be identified. Compounds MA4, MA7, MA8, MA10, MA11 and MA12 with promising Cdocker energy was expected to be very effective against the neuraminidase H1N1.

Copyrights © 2014






Journal Info

Abbrev

iconcse

Publisher

Subject

Computer Science & IT Engineering

Description

In partnership between Faculty of Computer Science, Sriwijaya University, Kirklareli University and Institute of Advanced Engineering and Science (IAES), we are delighted to be hosting the first international conference on computer science and ...