Abstract
The COVID-19 pandemic began in 2019, but it is still active. The development of an effective vaccine reduced the number of deaths; however, a treatment is still needed. Here, we aimed to inhibit viral entry to the host cell by inhibiting spike (S) protein cleavage by several proteases. We developed a computational pipeline to repurpose FDA-approved drugs to inhibit protease activity and thus prevent S protein cleavage. We tested some of our drug candidates and demonstrated a decrease in protease activity. We believe our pipeline will be beneficial in identifying a drug regimen for COVID-19 patients.
Keywords: SARS-CoV-2; drug repurposing; in silico screening; molecular modeling; proteases.
【저자키워드】 Drug repurposing, SARS-CoV-2, Molecular modeling, in silico screening, proteases., 【초록키워드】 Treatment, Drug repurposing, Vaccine, S protein, COVID-19 pandemic, protease, in silico, FDA-approved drugs, viral entry, Proteases, molecular, COVID-19 patients, Protease activity, regimen, host cell, FDA-approved drug, drug candidate, protein cleavage, Prevent, effective, decrease, S protein cleavage, tested, inhibit, reduced, demonstrated, inhibiting, 【제목키워드】 spike, Screening, Testing, molecule, block,