WASET
	%0 Journal Article
	%A Aditi Shukla and  Ambarish S. Vidyarthi and  Subir Samanta
	%D 2011
	%J International Journal of Pharmacological and Pharmaceutical Sciences
	%B World Academy of Science, Engineering and Technology
	%I Open Science Index 59, 2011
	%T Computer Aided Drug Design and Studies of Antiviral Drug against H3N2 Influenza Virus
	%U https://publications.waset.org/pdf/13704
	%V 59
	%X The worldwide prevalence of H3N2 influenza virus
and its increasing resistance to the existing drugs necessitates for the
development of an improved/better targeting anti-influenza drug.
H3N2 influenza neuraminidase is one of the two membrane-bound
proteins belonging to group-2 neuraminidases. It acts as key player
involved in viral pathogenicity and hence, is an important target of
anti-influenza drugs. Oseltamivir is one of the potent drugs targeting
this neuraminidase. In the present work, we have taken subtype N2
neuraminidase as the receptor and probable analogs of oseltamivir as
drug molecules to study the protein-drug interaction in anticipation of
finding efficient modified candidate compound. Oseltamivir analogs
were made by modifying the functional groups using Marvin Sketch
software and were docked using Schrodinger-s Glide. Oseltamivir
analog 10 was detected to have significant energy value (16% less
compared to Oseltamivir) and could be the probable lead molecule. It
infers that some of the modified compounds can interact in a novel
manner with increased hydrogen bonding at the active site of
neuraminidase and it might be better than the original drug. Further
work can be carried out such as enzymatic inhibition studies;
synthesis and crystallizing the drug-target complex to analyze the
interactions biologically.
	%P 515 - 518