Synthetic approaches to the neuraminidase inhibitors zanamivir (Relenza) and oseltamivir phosphate (Tamiflu) for the treatment of influenza

J Magano - Chemical reviews, 2009 - ACS Publications
Influenza, a severe viral infection of the respiratory system, is responsible for a significant
morbidity and mortality due to both annual epidemics and unpredictable pandemics. In the …

Recent progress in structure-based anti-influenza drug design

J Du, TA Cross, HX Zhou - Drug discovery today, 2012 - Elsevier
Seasonal and pandemic influenza have caused high morbidity and mortality worldwide.
Recent emergence of influenza A H5N1 and H1N1 strains has heightened concern …

CSAR benchmark exercise of 2010: combined evaluation across all submitted scoring functions

RD Smith, JB Dunbar Jr, PMU Ung… - Journal of chemical …, 2011 - ACS Publications
As part of the Community Structure-Activity Resource (CSAR) center, a set of 343 high-
quality, protein–ligand crystal structures were assembled with experimentally determined K …

Promising Anti-influenza Properties of Active Constituent of Withania somnifera Ayurvedic Herb in Targeting Neuraminidase of H1N1 Influenza: Computational Study

Z Cai, G Zhang, B Tang, Y Liu, X Fu… - Cell biochemistry and …, 2015 - Springer
Neuraminidase (NA) is a membrane surface antigen which helps in the release of influenza
viruses from the host cells after replication. Anti-influenza drugs such as zanamivir bind with …

Discovery of N-substituted oseltamivir derivatives as potent and selective inhibitors of H5N1 influenza neuraminidase

Y Xie, D Xu, B Huang, X Ma, W Qi, F Shi… - Journal of medicinal …, 2014 - ACS Publications
To discover group-1-specific neuraminidase (NA) inhibitors that are especially involved in
combating the H5N1 virus, two series of oseltamivir derivatives were designed and …

Hydration properties of ligands and drugs in protein binding sites: tightly-bound, bridging water molecules and their effects and consequences on molecular design …

AT García-Sosa - Journal of chemical information and modeling, 2013 - ACS Publications
Some water molecules in binding sites are important for intermolecular interactions and
stability. The way binding site explicit water molecules are dealt with affects the diversity and …

Anti-aggregating effect of the naturally occurring dipeptide carnosine on aβ1-42 fibril formation

A Aloisi, A Barca, A Romano, S Guerrieri, C Storelli… - PLoS …, 2013 - journals.plos.org
Carnosine is an endogenous dipeptide abundant in the central nervous system, where by
acting as intracellular pH buffering molecule, Zn/Cu ion chelator, antioxidant and anti …

Design, synthesis and biological activity of thiazolidine-4-carboxylic acid derivatives as novel influenza neuraminidase inhibitors

Y Liu, F Jing, Y Xu, Y Xie, F Shi, H Fang, M Li… - Bioorganic & medicinal …, 2011 - Elsevier
A series of thiazolidine-4-carboxylic acid derivatives were synthesized and evaluated for
their ability to inhibit neuraminidase (NA) of influenza A virus. All the compounds were …

Structure-based optimization of N-substituted oseltamivir derivatives as potent anti-influenza A virus agents with significantly improved potency against oseltamivir …

J Zhang, NA Murugan, Y Tian, C Bertagnin… - Journal of Medicinal …, 2018 - ACS Publications
Due to the emergence of highly pathogenic and oseltamivir-resistant influenza viruses, there
is an urgent need to develop new anti-influenza agents. Herein, five subseries of oseltamivir …

Top leads for swine influenza A/H1N1 virus revealed by steered molecular dynamics approach

BK Mai, MH Viet, MS Li - Journal of chemical information and …, 2010 - ACS Publications
Since March 2009, the rapid spread of infection during the recent A/H1N1 swine flu
pandemic has raised concerns of a far more dangerous outcome should this virus become …