The binding sites of wild-type avian influenza A H5N1 neuraminidase, as well as those of
the Tamiflu (oseltamivir)-resistant H274Y variant, were explored computationally to design …

Drug discovery include drug designing and development, is a multifarious and expensive
endeavor, where least number of drugs that pass the clinical trials makes it to market …

Chemical Drug Design provides a compact overview on recent advances in this rapidly
developing field. With contributions on in silico drug design, natural product based …

A rational approach is needed to maximize the chances of finding new drugs, and to exploit
the opportunities of potential new drug targets emerging from genomic and proteomic …

Structure-based drug design has become an indispensible tool in drug discovery. The
emergence of structure-based design is due to gains in structural biology that have provided …

Pharmaceutical research has successfully incorporated a wealth of molecular modeling
methods, within a variety of drug discovery programs, to study complex biological and …

Exploring the vast expanse of the theoretical chemical space has been a long-standing
ambition of computeraided drug design. The first De Novo method was proposed nearly 30 …

Introduction: The emergence of drug-resistant influenza virus strains highlights the need for
new antiviral therapeutics to combat future pandemic outbreaks as well as continuing …

The rapid advances of 3D techniques for the structural determination of proteins and the
development of numerous computational methods and strategies have led to identifying …

Using a highly reproducible and robust cell-based high-throughput screening (HTS) assay,
the authors screened a 100,000-compound library at 14-and 114-µM compound …