We predict that seven drugs, i.e., Perampanel, Carprofen, Celecoxib, Alprazolam, Trovafloxacin, Sarafloxacin and ethyl biscoumacetate, can bind to the active site of SARS-CoV-2 Mpro in a similar way than known M-pro reversible and irreversible inhibitors. The drugs with few adverse effects, i.e., Perampanel, Carprofen, Celecoxib and Alprazolam, could be considered for COVID-19 clinical trials provided that their inhibitory activity against M-pro were confirmed. However, a risk-benefit analysis of each drug must be taken into account. Interestingly, due to its anti-inflammatory activity, Celecoxib in combination with thalidomide has also been suggested by other authors as a possible treatment of patients with severe COVID-19 pneumonia. The VS strategy we have developed could also be applied to commercial databases of non-approved drugs to predict more putative SARS-CoV-2 M-pro inhibitors, thus increasing the number of available compounds for in vitro bioactivity assays against COVID-19.
Addressing target audiences and expressing needs
- Grants and Subsidies
- Use of research Infrastructure
We are looking for economic resources that allow us: (a) to contract post-doctoral students; (b) to contract PhD students ;(c) to pay software licenses; (d) publication expenses; (d) access to supercomputer facilities; and (e) to invest in workstations for our laboratory. With these economic resources we could perform the different research projects we have in mind for finding drugs for COVID-19 treatment.
- Public or private funding institutions
- Research and Technology Organisations
Result submitted to Horizon Results Platform by UNIVERSITAT ROVIRA I VIRGILI