Since 2003, highly pathogenic H5N1 influenza viruses have been the cause of large-scale
death in poultry and the subsequent infection and death of over 140 humans. At present …

Aiming at understanding the molecular properties of the encapsulation of the anticancer
drug gemcitabine in the single-walled carbon nanotube (SWCNT), molecular dynamics (MD) …

A new butenolide isoaspulvinone E (1), together with two known butenolides aspulvinone E
(2) and pulvic acid (3) were isolated from the marine-derived fungus, Aspergillus terreus …

Zwitterions, used widely in chemical, biological and medicinal fields, show distinct
physicochemical properties relative to ordinary ampholytes, which largely decide their …

The influence of water models SPC, SPC/E, TIP3P, and TIP4P on ligand binding affinity is
examined by calculating the binding free energy ΔGbind of oseltamivir carboxylate (Tamiflu) …

In the present study, the anti-influenza A (H2N2) virus activity of patchouli alcohol was
studied in vitro, in vivo and in silico. The CC50 of patchouli alcohol was above 20 µM …

The recent outbreak of the novel strain of influenza A (H1N1) virus has raised a global
concern of the future risk of a pandemic. To understand at the molecular level how this new …

The highly pathogenic influenza strains H5N1 and H1N1 are currently treated with inhibitors
of the viral surface protein neuraminidase (N1). Crystal structures of N1 indicate a …

The outbreaks of chikungunya (CHIKV) and venezuelan equine encephalitis (VEEV) viral
infections in humans have emerged or re-emerged in various countries of “Africa and …

Oseltamivir is an inhibitor of influenza virus neuraminidase, which is approved for use for the
treatment and prophylaxis of influenza A and B virus infections. In the event of an influenza …