{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,9]],"date-time":"2026-10-09T16:17:49Z","timestamp":1791562669891,"version":"4.3.4"},"reference-count":50,"publisher":"AIP Publishing","issue":"6","content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2020,6,1]]},"abstract":"<jats:p>There is an urgent necessity of effective medication against severe acute respiratory syndrome coronavirus 2 (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 SARS CoV (nowadays known as SARS CoV-1). Here, we report that average SARS CoV-2 Mpro is 1900% more sensitive than SARS 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 Cys-145 and coincides with the binding site of strong inhibitors. These findings, based on a simplified representation of the protein as a residue network, may help in designing potent inhibitors of SARS CoV-2 Mpro.<\/jats:p>","DOI":"10.1063\/5.0013029","type":"journal-article","created":{"date-parts":[[2020,6,9]],"date-time":"2020-06-09T10:45:20Z","timestamp":1591699520000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":50,"title":["Topological analysis of SARS CoV-2 main protease"],"prefix":"10.1063","volume":"30","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-3066-7418","authenticated-orcid":false,"given":"Ernesto","family":"Estrada","sequence":"first","affiliation":[{"name":"Institute of Applied Mathematics (IUMA), Universidad de Zaragoza , Pedro Cerbuna 12, E-50009 Zaragoza, and , 50018 Zaragoza,","place":["Spain Spain"]},{"name":"ARAID Foundation, Government of Arag\u00f3n , Pedro Cerbuna 12, E-50009 Zaragoza, and , 50018 Zaragoza,","place":["Spain Spain"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"317","published-online":{"date-parts":[[2020,6,9]]},"reference":[{"key":"2025100317371217800_c1","doi-asserted-by":"publisher","first-page":"270","DOI":"10.1038\/s41586-020-2012-7","article-title":"A pneumonia outbreak associated with a new coronavirus of probable bat origin","volume":"579","year":"2020","journal-title":"Nature"},{"key":"2025100317371217800_c2","doi-asserted-by":"publisher","first-page":"265","DOI":"10.1038\/s41586-020-2008-3","article-title":"A new coronavirus associated with human respiratory disease in China","volume":"579","year":"2020","journal-title":"Nature"},{"key":"2025100317371217800_c3","doi-asserted-by":"publisher","first-page":"536","DOI":"10.1038\/s41564-020-0695-z","article-title":"The species Severe acute respiratory syndrome-related coronavirus: Classifying 2019-nCoV and naming it SARS-CoV-2","volume":"5","year":"2020","journal-title":"Nat. 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