Virtual Screening of Piperidine Based Small Molecules Against COVID-19
Keywords:COVID-19, Corona virus, Piperidine, Virtual screening
COVID-19 was declared a global pandemic in March 2020. Due to urgency with less time, there was a need to explore the potential treatment to address this severe health issue. Drug design and development is a long procedure; therefore, the first approach to speed up the drug development is almost repurposing existing drugs and small molecules. Over past few decades, use of fast and inexpensive computer-aided drug design (CADD) turned out to be a revolution in the pharmaceutical industry. CADD could help to knock out many inactive compounds at different test stages leading to time and money saving. Moreover, it could help to test already existing small molecules for other diseases. Within this work, an in-house library of 210 biologically active compounds was subjected to in silico virtual screening against COVID-19. The top 10 compounds from docking studies were further tested for in silico ADME prediction using Molinspiration.
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