Thanyada Rungrotmongkol, Pathumwadee Yotmanee, Nadtanet Nunthaboot and Supot Hannongbua Pages 1720 - 1739 ( 20 )
While the seasonal influenza viruses spreading around the world cause the annual epidemics, the recent outbreaks of influenza A virus subtype H5N1 and pandemic H1N1 have raised global human health concerns. In this review, the applicabilities of computational techniques focused on three important targets in the viral life cycle: hemagglutinin, neuraminidase and M2 proton channel are summarized. Protein mechanism of action, substrate binding specificity and drug resistance, ligand-target interactions of substrate/ inhibitor binding to these three proteins either wild-type or mutant strains are discussed and compared. Advances on the novel antiinfluenza agents designed specifically to combat the avian H5N1 and pandemic H1N1 viruses are introduced. A better understanding of molecular inhibition and source of drug resistance as well as a set of newly designed compounds is greatly useful as a rotational guide for synthetic and medicinal chemists to develop a new generation of anti-influenza drugs.
Avian influenza H5N1 virus,pandemic influenza H1N1 virus,hemagglutinin,neuraminidase,M2 channel,theoretical calculations,computer-aided drug design,influenza,pandemic influenza,avian flu,Orthomyxoviridae,glycoproteins,galactose,proteolysis,homotrimer,pathogenicity,polybasic,chymotrypsin,nucleophile,imidazolium
, , , Computational Chemistry Unit Cell, Department of Chemistry, Faculty of Science, Chulalongkorn University, Phayathai Road, Patumwan, Bangkok, 10330, Thailand.