Key result
Bexarotene, diiodohydroxyquinoline, abiraterone, and cetilistat show potential as SARS-CoV-2 RdRp inhibitors vs remdesivir in silico.
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Why the study?
Vaccines carry potential risks, making the rapid development and repurposing of drug molecules against key viral targets like RNA-dependent RNA polymerase a necessary option in an emergency.
In silico modeling suggests that cetilistat, abiraterone, diiodohydroxyquinoline, and bexarotene may have potential as SARS-CoV-2 RdRp inhibitors.
Vaccines are undoubtedly the most effective means of combating viral diseases like COVID-19. However, there are risks associated with vaccination, such as incomplete viral deactivation or potential adverse effects in humans. However, designing and developing a panel of new drug molecules is always encouraged. In an emergency, drug repurposing research is one of the most potent and rapid options. RdRp (RNA-dependent RNA polymerase) has been discovered to play a pivotal role in viral replication. In this study, FDA-approved drugs bexarotene, diiodohydroxyquinoline, abiraterone, cetilistat, and remdesivir were repurposed against the RdRp by molecular modeling, docking, and dynamic simulation. Furthermore, to validate the potency of these drugs, we compared them to the antiviral remdesivir, which inhibits RdRp. Our finding indicated that the selected drugs have a high potential to be developed as RdRp inhibitors and, with further validation studies, could serve as potential drugs for the treatment of COVID-19.
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Shahabadi et al. (2022) studied COVID-19. Bexarotene, diiodohydroxyquinoline, abiraterone, cetilistat vs. Remdesivir was evaluated on Inhibition of RNA-dependent RNA polymerase (RdRp). In silico molecular modeling indicated that bexarotene, diiodohydroxyquinoline, abiraterone, and cetilistat have high potential as SARS-CoV-2 RdRp inhibitors compared to remdesivir.
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