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http://conacyt.repositorioinstitucional.mx/jspui/handle/1000/2322| Topological Analysis of SARS CoV-2 Main Protease | |
| Ernesto Estrada. | |
| Acceso Abierto | |
| Atribución-NoComercial-SinDerivadas | |
| 10.1101/2020.04.03.023887 | |
| There is an urgent necessity of effective medication against SARS CoV-2, which is producing the COVID-19 pandemic across the world. Its main protease (Mpro) represents an attractive pharmacological target due to its involvement in essential viral functions. The crystal structure of free Mpro shows a large structural resemblance with the main protease of CoV-1. Here we report that CoV-2 Mpro is however 300% more sensitive than CoV-1 Mpro in transmitting tiny structural changes across the whole protein through long-range interactions. The largest sensitivity of Mpro to structural perturbations is located exactly around the catalytic site Cyst-145, and coincides with the binding site of several of its inhibitors. These findings, based on a simplified representation of the protein as a residue network, may help in designing potent inhibitors of CoV-2 Mpro. | |
| www.biorxiv.org | |
| 2020 | |
| Artículo | |
| https://www.biorxiv.org/content/10.1101/2020.04.03.023887v1.full.pdf | |
| Inglés | |
| VIRUS RESPIRATORIOS | |
| Aparece en las colecciones: | Artículos científicos |
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| 1101492.pdf | 632.57 kB | Adobe PDF | Visualizar/Abrir |