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Recent studies have suggested the importance of thrombin inhibitors in the modulation of thromboembolic disorders. The aim of this study was to discover a new small-molecule thrombin inhibitor. In this study, the compound\n                    <jats:bold>JJ1<\/jats:bold>\n                    , which has a novel scaffold, was selected by structure-based docking simulation to determine its potential inhibitory activity against thrombin.\n                    <jats:bold>JJ1<\/jats:bold>\n                    was shown to inhibit the catalytic activity of human \u03b1-thrombin with a\n                    <jats:italic>K<\/jats:italic>\n                    <jats:sub>\n                      <jats:italic>i<\/jats:italic>\n                    <\/jats:sub>\n                    of 0.019\u2009\u03bcM by direct binding to the active site and with at least 10,000-fold selectivity relative to that reported for the inhibition of other biologically important serine proteases.\n                    <jats:bold>JJ1<\/jats:bold>\n                    prolonged clotting times (activated partial thromboplastin time and prothrombin time) and inhibited the activity and production of thrombin. Furthermore, it inhibited thrombin-catalyzed fibrin polymerization and platelet aggregation. Similar to its\n                    <jats:italic>in vitro<\/jats:italic>\n                    antithrombotic activities,\n                    <jats:bold>JJ1<\/jats:bold>\n                    showed enhanced antithrombotic effects in an\n                    <jats:italic>in vivo<\/jats:italic>\n                    pulmonary embolism and arterial thrombosis model. It also exhibited anticoagulant effects in mice. Collectively, these results demonstrated that\n                    <jats:bold>JJ1<\/jats:bold>\n                    was a potent, direct, and selective thrombin inhibitor that may be useful in the management of various thrombotic disorders.\n                  <\/jats:p>","DOI":"10.1038\/s41598-017-13868-1","type":"journal-article","created":{"date-parts":[[2017,10,26]],"date-time":"2017-10-26T10:50:43Z","timestamp":1509015043000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":12,"title":["Antithrombotic properties of JJ1, a potent and novel thrombin inhibitor"],"prefix":"10.1038","volume":"7","author":[{"given":"Wonhwa","family":"Lee","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Suyeon","family":"Lee","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Joonhyeok","family":"Choi","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jun-Hyeong","family":"Park","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kyung-Min","family":"Kim","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jun-Goo","family":"Jee","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jong-Sup","family":"Bae","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2017,11,1]]},"reference":[{"key":"13868_CR1","doi-asserted-by":"publisher","first-page":"10363","DOI":"10.1021\/bi00107a001","volume":"30","author":"EW Davie","year":"1991","unstructured":"Davie, E. 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