| 초록 |
Recently, there has been growing interest in the treatment and prophylaxis of H5N1 avian influenza. Although many drugs have been developed, one of the most popular anti-influenza drugs is oseltamivir. However, the resistance of H5N1 to oseltamivir has been reported. The aim of this research is to design molecularly an advanced inhibitor in order to develop a new, potent anti-influenza drug. For this purpose, four potential inhibitors, 1-4, were molecularly designed via attaching a chemical group to the oseltamivir. When the binding strengths of the oseltamivir and the newly designed inhibitors for N1 were calculated to examine the drug efficiency by using a molecular dynamics simulation, it is found that inhibitor 2 shows the largest binding affinity. Since the inhibitor 2 seems to have the possibility of oral activity according to criteria of human oral bioavailability, it is proposed that the inhibitor 2 is a promising antiviral drug for H5N1 avian influenza. |
