Novel Binding Mechanisms of Fusion Broad Range Anti-Infective Protein Ricin A Chain Mutant-Pokeweed Antiviral Protein 1 (RTAM-PAP1) against SARS-CoV-2 Key Proteins in Silico
| العنوان: | Novel Binding Mechanisms of Fusion Broad Range Anti-Infective Protein Ricin A Chain Mutant-Pokeweed Antiviral Protein 1 (RTAM-PAP1) against SARS-CoV-2 Key Proteins in Silico |
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| المؤلفون: | Hui Ge, Sherry Ogg, Yasser Hassan |
| المصدر: | Toxins Toxins, Vol 12, Iss 602, p 602 (2020) |
| بيانات النشر: | MDPI, 2020. |
| سنة النشر: | 2020 |
| مصطلحات موضوعية: | Health, Toxicology and Mutagenesis, In silico, viruses, Pneumonia, Viral, lcsh:Medicine, Computational biology, Ricin, Toxicology, medicine.disease_cause, Antiviral Agents, ribosome-inactivating proteins, antiviral agent, 03 medical and health sciences, chemistry.chemical_compound, Betacoronavirus, Mice, medicine, Animals, Humans, Computer Simulation, Pandemics, 030304 developmental biology, Coronavirus, Griffithsin, 0303 health sciences, biology, SARS-CoV-2, Ribosome-inactivating protein, Brief Report, lcsh:R, 030302 biochemistry & molecular biology, pokeweed antiviral protein, Lectin, COVID-19, Fusion protein, Plant Leaves, chemistry, Docking (molecular), Models, Animal, biology.protein, Ribosome Inactivating Proteins, Type 1, Phytolacca americana, Coronavirus Infections, fusion proteins, Protein Binding |
| الوصف: | 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. |
| اللغة: | English |
| تدمد: | 2072-6651 |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::446b526871267758dd3f20e8f9990960 http://europepmc.org/articles/PMC7551812 |
| حقوق: | OPEN |
| رقم الأكسشن: | edsair.doi.dedup.....446b526871267758dd3f20e8f9990960 |
| قاعدة البيانات: | OpenAIRE |
| تدمد: | 20726651 |
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