{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,8,27]],"date-time":"2025-08-27T15:40:38Z","timestamp":1756309238063,"version":"3.37.3"},"reference-count":65,"publisher":"Oxford University Press (OUP)","issue":"8","license":[{"start":{"date-parts":[[2021,4,1]],"date-time":"2021-04-01T00:00:00Z","timestamp":1617235200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/academic.oup.com\/journals\/pages\/open_access\/funder_policies\/chorus\/standard_publication_model"}],"funder":[{"name":"Ministry of Education, Youth and Sports of the Czech Republic","award":["LQ1601"],"award-info":[{"award-number":["LQ1601"]}]},{"name":"Large Infrastructures for Research, Experimental Development and Innovations","award":["LM2018140"],"award-info":[{"award-number":["LM2018140"]}]},{"DOI":"10.13039\/501100008530","name":"European Regional Development Fund","doi-asserted-by":"publisher","award":["CZ.02.2.69\/0.0\/0.0\/17_050\/0008496"],"award-info":[{"award-number":["CZ.02.2.69\/0.0\/0.0\/17_050\/0008496"]}],"id":[{"id":"10.13039\/501100008530","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Scientific Grant Agency of the Ministry of Education","award":["VEGA-02\/0024\/16"],"award-info":[{"award-number":["VEGA-02\/0024\/16"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2021,9,9]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>Coronavirus disease 2019 (COVID-19) has spread rapidly throughout the globe. The spectrum of disease is broad but among hospitalized patients with COVID-19, respiratory failure from acute respiratory distress syndrome is the leading cause of mortality. There is an urgent need for an effective treatment. The current focus has been developing novel therapeutics, including antivirals, protease inhibitors, vaccines and targeting the overactive cytokine response with anti-cytokine therapy. The overproduction of early response proinflammatory cytokines results in what has been described as a \u201ccytokine storm\u201d is leading eventually to death when the cells fail to terminate the inflammatory response. Accumulating evidence shows that inflammatory cytokines induce selectin ligands that play a crucial role in the pathogenesis of inflammatory diseases by mediating leukocyte migration from the blood into the tissue. Thus, the selectins and selectin ligands represent a promising therapeutic target for the treatment of COVID-19. In this paper, potential pan-selectin inhibitors were identified employing a virtual screening using a docking procedure. For this purpose, the Asinex and ZINC databases of ligands, including approved drugs, biogenic compounds and glycomimetics, altogether 923,602 compounds, were screened against the P-, L- and E-selectin. At first, the experimentally confirmed inhibitors were docked into all three selectins\u2019 carbohydrate recognition domains to assess the suitability of the screening procedure. Finally, based on the evaluation of ligands binding, we propose 10 purchasable pan-selectin inhibitors to develop COVID-19 therapeutics.<\/jats:p>","DOI":"10.1093\/glycob\/cwab021","type":"journal-article","created":{"date-parts":[[2021,3,11]],"date-time":"2021-03-11T20:10:04Z","timestamp":1615493404000},"page":"975-987","source":"Crossref","is-referenced-by-count":8,"title":["Pan-selectin inhibitors as potential therapeutics for COVID-19 treatment: in silico screening study"],"prefix":"10.1093","volume":"31","author":[{"given":"Pavel","family":"\u0160mak","sequence":"first","affiliation":[{"name":"National Centre for Biomolecular Research, Faculty of Science, Masaryk University, 625 00 Brno, Czech Republic"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Selvaraj","family":"Chandrabose","sequence":"additional","affiliation":[{"name":"Central European Institute of Technology (CEITEC), Masaryk University, 625 00 Brno, Czech Republic"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Igor","family":"Tvaro\u0161ka","sequence":"additional","affiliation":[{"name":"National Centre for Biomolecular Research, Faculty of Science, Masaryk University, 625 00 Brno, Czech Republic"},{"name":"Institute of Chemistry, Slovak Academy of Sciences, 845 38 Bratislava, Slovak Republic"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jaroslav","family":"Ko\u010da","sequence":"additional","affiliation":[{"name":"National Centre for Biomolecular Research, Faculty of Science, Masaryk University, 625 00 Brno, Czech Republic"},{"name":"Central European Institute of Technology (CEITEC), Masaryk University, 625 00 Brno, Czech Republic"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"286","published-online":{"date-parts":[[2021,4,1]]},"reference":[{"volume-title":"Screening Libraries (All 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