Computer-aided Drug Design For Anti-Avian Influenza

In recent years, Avian Influenza which breaks out all over the world not only causes enormous economic loss and also threatens the health and life of humankind, even that the phenomena that some people died of avian influenza has appeared. In China, the instance of avian influenza becomes also serious; the case of AIV was found in some provinces and some birds, animals even some people was dead because of AIV. The epidemic has been paid more attention by the entire world and the method to anti-AIV is becoming the hotspot.The situation that several coding proteins which are M2 ion channel, neuraminidase, hemagglutinins and RNA polymerase play important roles in replication cycle of avian influenza is approved by molecular biology. Due to the mutation of the influenza antigen and the difference of individual's immunity, the flu bacterin doesn't defend and protect effectively. The anti-influenza drugs become the crucial and key method to defend the flu. Several kinds of drugs are developed and manufactured according to the coding protein. However, the effectiveness of the drugs is lower against the new virus. The new high efficiency drugs by molecule simulation which is based on computer-aided drug design are needed to be developed immediately.Docking and Quantitative structure-activity relationship (QSAR) which are important means of computer-aided drug design are applied in the drug screening and design. Docking which is the method based on structure drug design not only dock the ligand to the receptor to analyze the interaction energy, the H-bonds distribution and the reaction free energy also confirm the dynamic simulation in docking process based on the receptor targets. QSAR is a method which studies the interaction of organic molecules and macro-molecules with the physicochemical descriptors by mathematics and statistics.The article which is linked the new research findings of anti-AIV all over the world studied the interaction between drugs and coding protein, approved several...