Introduction: Molecular dynamics (MD) simulations can provide not only plentiful dynamical
structural information on biomacromolecules but also a wealth of energetic information …

The neuraminidase (NA) of influenza A and B viruses plays a distinct role in viral replication
and has a highly conserved catalytic site. Numerous sialic (neuraminic) acid analogs that …

Influenza virus circulates in human, avian, and swine hosts, causing seasonal epidemic and
occasional pandemic outbreaks. Influenza neuraminidase, a viral surface glycoprotein, has …

Most chemical transformations (reactions or conformational changes) that are of interest to
researchers have many degrees of freedom, usually too many to visualize without reducing …

Background: Traditional drug discovery is a lengthy process which involves a huge amount
of resources. Modern-day drug discovers various multidisciplinary approaches amongst …

The recently discovered 150-cavity (formed by loop residues 147–152, N2 numbering)
adjacent to the enzymatic active site of group 1 influenza A neuraminidase (NA) has …

The outbreak and high speed global spread of the new strain of influenza A/H1N1 virus in
2009 posed a serious threat to global health. It is more likely that drug-resistant influenza …

TLR7 and TLR8 are key members of the Toll-like receptor family, playing crucial roles in the
signaling pathways of innate immunity, and thus become attractive therapeutic targets of …

Influenza human infections are considered as a persistent global public health issue.
Whereas vaccination is important for prevention, given its limitations, antiviral therapy is at …

Oseltamivir (Tamiflu) is the most accepted antiviral drug that targets the neuraminidase (NA)
protein to inhibit the viral release from the host cell. Few H1N1 influenza strains with the …