Application of In Silico and HTS Approaches to Identify Nuclear Import Inhibitors for Venezuelan Equine Encephalitis Virus Capsid Protein: A Case Study
Sharon Shechter, David R Thomas, David A Jans
FRONTIERS IN CHEMISTRY | FRONTIERS MEDIA SA | Published : 2020
The development of new drugs is costly and time-consuming, with estimates of over $US1 billion and 15 years for a product to reach the market. As understanding of the molecular basis of disease improves, various approaches have been used to target specific molecular interactions in the search for effective drugs. These include high-throughput screening (HTS) for novel drug identification and computer-aided drug design (CADD) to assess the properties of putative drugs before experimental work begins. We have applied conventional HTS and CADD approaches to the problem of identifying antiviral compounds to limit infection by Venezuelan equine encephalitis virus (VEEV). Nuclear targeting of ..View full abstract
Awarded by Defense Threat Reduction Agency
Awarded by National Health and Medical Research Council Australia
The authors acknowledged grant funding from the Defense Threat Reduction Agency (HDTRA1-15-1-0014) for HTS and in silico screens and the National Health and Medical Research Council Australia (Senior Principal Research Fellowship APP1002486/APP1103050 to DJ).