Inhibitors of Key Targets of SARS-CoV-2 and Other Coronaviruses
Deadline for manuscript submissions: closed (30 June 2022) | Viewed by 17788
Interests: cheminformatics; bioinformatics; drug design; SARS-CoV-2 M-pro inhibitors
Special Issues, Collections and Topics in MDPI journals
Although vaccines are expected to be crucial in the fight against the COVID-19 pandemic, new therapeutic treatments are needed. In the US and Europe, only one drug, remdesivir, has been approved for the treatment of COVID-19 that requires hospitalization. RNA-dependent RNA polymerase (RdRp), main protease (M-pro), and papain-like protease (PL-pro) are key targets for blocking the lifecycle of coronaviruses and developing new antiviral therapies.
This Special Issue will collect research articles and reviews on compounds or extracts that inhibit, or are expected to inhibit, RdRp, M-pro, PL-pro, or other relevant targets of SARS-CoV-2 or other coronaviruses. Repurposed drugs, i.e., drugs approved for other indications, are remarkably interesting because they could reduce the time needed for drug development, but articles on the design or molecular modifications of new biologically active compounds are also welcome to this Special Issue. Computational studies or studies containing a biological evaluation are welcome. Computational studies, such as studies that include virtual screening, docking or machine learning, must include details on the validation of the methodology used. Thus, the use of some type of internal validation that can demonstrate that the methodology used is capable of identifying known SARS-CoV-2 inhibitors is strongly recommended. In addition, a group of inactive compounds or decoy molecules should be used as a negative control.
Since the SARS-CoV-2 genome is continuously mutating, and these mutations could reduce the effectiveness of inhibitors, molecules that could inhibit current but also future versions of SARS-CoV-2 or other coronaviruses will be of great interest.
Dr. Santiago Garcia-Vallve
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- drug design
- M-pro inhibitors
- RdRp inhibitors
- PL-pro inhibitors
- pan-coronavirus inhibitors