title: Efficacy of neuraminidase (NA) inhibitors against H1N1 strains of different geographical regions: an in silico approach.
abstract: This report described the efficacy of NA inhibitors against newly evolved strains of H1N1 viruses. This in silico study was designed to understand the mode of interactions of NA inhibitors with NA. Hence, ligand, oseltamivir, zanamivir and peramivir were docked with modeled NA, ACD65204 (USA/2007), BAA06717 (Japan/1992), ACE77988 (S. Korea/2005) and ACD65204 (USA/2007). This study is based on interaction energies. Ramachandran Z-scores for these modeled structures were found to be -0.998, -1.121, -0.870 and -1.023, respectively, which confirms the accuracy of the modeled structures. These interactions revealed that some of these interacting residues have remained conserved throughout all the pandemics. These amino acid residues were found to be R118, R152, R225, E277, E278, R293 and Y402. Moreover, our study concludes that peramivir is the most efficient inhibitor against NA of H1N1.
authors.affiliation: Interdisciplinary Biotechnology Unit, Aligarh Muslim University, Aligarh, 202002 India.
authors.forename: Asad U
authors.initials: AU
authors.lastname: Khan
authors.forename: Shazi
authors.initials: S
authors.lastname: Shakil
authors.forename: Sunil K
authors.initials: SK
authors.lastname: Lal
keywords: H1N1; NA inhibitor; Neuraminidase; Swine flu