The deadly pandemic named COVID-19, caused by a new coronavirus (SARS-CoV-2), emerged in 2019 and is still spreading globally at a dangerous pace. As of today, there are no proven vaccines, therapies, or even strategies to fight off this virus. Here, we describe the in silico docking results of a novel broad range anti-infective fusion protein RTAM-PAP1 against the various key proteins of SARS-CoV-2 using the latest protein-ligand docking software. RTAM-PAP1 was compared against the SARS-CoV-2 B38 antibody, ricin A chain, a pokeweed antiviral protein from leaves, and the lectin griffithsin using the special CoDockPP COVID-19 version. These experiments revealed novel binding mechanisms of RTAM-PAP1 with a high affinity to numerous SARS-CoV-2 key proteins. RTAM-PAP1 was further characterized in a preliminary toxicity study in mice and was found to be a potential therapeutic candidate. These findings might lead to the discovery of novel SARS-CoV-2 targets and therapeutic protein structures with outstanding functions.
【저자키워드】 COVID-19, SARS-CoV-2, antiviral agent, ricin, fusion proteins, pokeweed antiviral protein, ribosome-inactivating proteins, 【초록키워드】 Structure, pandemic, Antiviral, Vaccines, antibody, Toxicity, Proteins, docking, in silico, virus, Protein, mice, therapeutic, target, experiment, fusion protein, Therapies, New coronavirus, high affinity, functions, binding mechanism, caused, characterized, docking result, protein-ligand, the SARS-CoV-2, 【제목키워드】 novel, fusion, chain, Range,