TY - JOUR
T1 - Efficacy of neuraminidase (NA) inhibitors against H1N1 strains of different geographical regions
T2 - An in silico approach
AU - Khan, Asad U.
AU - Shakil, Shazi
AU - Lal, Sunil K.
N1 - Funding Information:
Acknowledgments Author acknowledges the facilities of Distributed Information Sub-centre, Interdisciplinary Biotechnology Unit, AMU Aligarh. This work was supported by the DBT grant sanction no. BT/PR7507/ BID/07/201/2006 to AUK. SS is recipient of DBT Senior Research Fellowship.
Copyright:
Copyright 2019 Elsevier B.V., All rights reserved.
PY - 2009/12
Y1 - 2009/12
N2 - 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.
AB - 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.
KW - H1N1
KW - NA inhibitor
KW - Neuraminidase
KW - Swine flu
UR - http://www.scopus.com/inward/record.url?scp=73549109211&partnerID=8YFLogxK
U2 - 10.1007/s12088-009-0065-2
DO - 10.1007/s12088-009-0065-2
M3 - Article
AN - SCOPUS:73549109211
VL - 49
SP - 370
EP - 376
JO - Indian Journal of Microbiology
JF - Indian Journal of Microbiology
SN - 0046-8991
IS - 4
ER -