{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,17]],"date-time":"2026-09-17T14:21:04Z","timestamp":1789654864938,"version":"4.0.1"},"update-to":[{"DOI":"10.12688\/f1000research.52168.1","type":"new_version","label":"New version","source":"publisher","updated":{"date-parts":[[2021,11,11]],"date-time":"2021-11-11T00:00:00Z","timestamp":1636588800000}}],"reference-count":77,"publisher":"F1000 Research Ltd","license":[{"start":{"date-parts":[[2021,11,11]],"date-time":"2021-11-11T00:00:00Z","timestamp":1636588800000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100003141","name":"Consejo Nacional de Ciencia y Tecnolog\u00eda","doi-asserted-by":"crossref","award":["Estancias Posdoctorales por M\u00e9xico \u2013 Estancia posdoctoral de incidencia 1er A\u00f1o 2020 - 1 to DC-A"],"award-info":[{"award-number":["Estancias Posdoctorales por M\u00e9xico \u2013 Estancia posdoctoral de incidencia 1er A\u00f1o 2020 - 1 to DC-A"]}],"id":[{"id":"10.13039\/501100003141","id-type":"DOI","asserted-by":"crossref"}]},{"DOI":"10.13039\/501100003141","name":"Consejo Nacional de Ciencia y Tecnolog\u00eda","doi-asserted-by":"crossref","award":["APOYO PARA PROYECTOS DE INVESTIGACI\u00d3N CIENT\u00cdFICA, DESARROLLO TECNOL\u00d3GICO E INNOVACI\u00d3N EN SALUD ANTE LA CONTINGENCIA POR COVID-19 grant no. C-295\/2020 to GAS-M"],"award-info":[{"award-number":["APOYO PARA PROYECTOS DE INVESTIGACI\u00d3N CIENT\u00cdFICA, DESARROLLO TECNOL\u00d3GICO E INNOVACI\u00d3N EN SALUD ANTE LA CONTINGENCIA POR COVID-19 grant no. C-295\/2020 to GAS-M"]}],"id":[{"id":"10.13039\/501100003141","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":["f1000research.com"],"crossmark-restriction":false},"short-container-title":["F1000Res"],"abstract":"<ns3:p>\n                    <ns3:bold>Background:<\/ns3:bold>\n                    Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), a new coronavirus discovered that appeared in Wuhan, China, in December 2019, causes COVID-19 disease which have resulted in cases similar to SARS-atypical pneumonia. Worldwide, around 116 million cases and 2.57 million deaths are reported with new cases and increasing mortality every day. To date, there is no specific commercial treatment to control the infection. Repurpose drugs targeting the angiotensin-converting enzyme 2 (ACE2) receptor represents an alternative strategy to block the binding of SARS-CoV-2 protein S and forestall virus adhesion, internalization, and replication in the host cell.\n                  <\/ns3:p>\n                  <ns3:p>\n                    <ns3:bold>Methods:<\/ns3:bold>\n                    We performed a rigid molecular docking using the receptor binding domain of the S1 subunit of S protein (RBD\n                    <ns3:sub>S1<\/ns3:sub>\n                    )-ACE2 (PDB ID: 6VW1) interaction site and 1,283 drugs FDA approved. The docking score, frequency of the drug in receptor site, and interactions at the binding site residues were used as analyzing criteria.\n                  <\/ns3:p>\n                  <ns3:p>\n                    <ns3:bold>Results:<\/ns3:bold>\n                    This research yielded 40 drugs identified as a potential inhibitor of RBD\n                    <ns3:sub>S1<\/ns3:sub>\n                    -ACE2 interaction. Among the inhibitors, compounds such as ipratropium, formoterol, and fexofenadine can be found. Specialists employ these drugs as therapies to treat chronic obstructive pulmonary disease, asthma and virtually any respiratory infection.\n                  <\/ns3:p>\n                  <ns3:p>\n                    <ns3:bold>Conclusions<\/ns3:bold>\n                    : Our results will serve as the basis for\n                    <ns3:italic>in vitro<\/ns3:italic>\n                    and\n                    <ns3:italic>in vivo<\/ns3:italic>\n                    studies to evaluate the potential use of those drugs to generate affordable and convenient therapies to treat COVID-19.\n                  <\/ns3:p>","DOI":"10.12688\/f1000research.52168.2","type":"journal-article","created":{"date-parts":[[2021,11,11]],"date-time":"2021-11-11T10:15:08Z","timestamp":1636625708000},"page":"358","update-policy":"https:\/\/doi.org\/10.12688\/f1000research.crossmark-policy","source":"Crossref","is-referenced-by-count":4,"title":["Identification of potential inhibitors of SARS-CoV-2 S 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CIENT\u00cdFICA, DESARROLLO TECNOL\u00d3GICO E INNOVACI\u00d3N EN SALUD ANTE LA CONTINGENCIA POR COVID-19\u201d grant no. C-295\/2020 to GAS-M. DC-A is a post-doctoral researcher supported with a fellowship from Consejo Nacional de Ciencia y Tecnolog\u00eda (CONACYT), M\u00e9xico (grant no. Estancias Posdoctorales por M\u00e9xico \u2013 Estancia posdoctoral de incidencia 1er A\u00f1o 2020 - 1). The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.","order":2,"name":"grant-information","label":"Grant Information"},{"value":"This is an open access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.","order":0,"name":"copyright-info","label":"Copyright"}]}}