Research Team Identifies Promising COVID-19 Drugs Using Virtual Screening
A joint research team from KAIST and Institut Pasteur Korea has made significant strides in the fight against COVID-19 symptoms. Using a virtual screening strategy, they identified seven potential drugs from an initial 38, with three showing promising results in human lung cells.
The team, led by researchers from both institutions, employed a practical drug repurposing strategy. They began by screening 6,218 drugs, ultimately selecting 38 potential candidates. The research group developed a platform technology that rapidly identified novel compounds, responding to new infectious diseases and variants.
The team's virtual screening strategy achieved a high hit rate of 18.4%. They developed effective filtering algorithms before and after docking simulations to improve hit rates. These algorithms, based on shape and interaction similarity, helped reduce false positives. The strategy led to the identification of seven compounds that inhibited SARS-CoV-2 replication in Vero cells, with three showing anti-SARS-CoV-2 activity in human lung cells (Calu-3).
Further preclinical trials are planned to optimize drug concentrations and address toxicity issues. The team's work not only aids in developing therapeutic medications for COVID-19 symptoms but also speeds up the process for other antiviral diseases.
The joint research team's innovative approach to virtual screening has brought us closer to finding effective treatments for COVID-19 symptoms. Their work highlights the potential of drug repurposing in combating global pandemics and demonstrates the value of international collaboration in scientific research.
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