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Various animal models have indicated a substantial role for FXIIa in thromboembolic diseases. Interestingly, individuals and animals with FXII deficiency seem to maintain normal hemostasis. Consequently, inhibiting FXIIa could potentially offer a viable therapeutic approach for achieving effective and safer anticoagulation without the bleeding risks associated with the existing anticoagulants. Despite the potential, only a limited number of small molecule inhibitors targeting human FXIIa have been documented. Thus, we combined a small library of 32 triazole and triazole-like molecules to be evaluated for FXIIa inhibition by using a chromogenic substrate hydrolysis assay under physiological conditions. Initial screening at 200 \u03bcM involved 18 small molecules, revealing that 4 molecules inhibited FXIIa more than 20%. In addition to being the most potent inhibitor identified in the first round, inhibitor 8 also exhibited a substantial margin of selectivity against related serine proteases, including factors XIa, Xa, and IXa. However, the molecule also inhibited thrombin with a similar potency. It also prolonged the clotting time of human plasma, as was determined in the activated partial thromboplastin time and prothrombin time assays. Subsequent structure\u2013activity relationship studies led to the identification of several inhibitors with submicromolar activity, among which inhibitor 22 appears to demonstrate significant selectivity not only over factors IXa, Xa, and XIa, but also over thrombin. In summary, this study introduces novel triazole-based small molecules, specifically compounds 8 and 22, identified as potent and selective inhibitors of human FXIIa. The aim is to advance these inhibitors for further development as anticoagulants to provide a more effective and safer approach to preventing and\/or treating thromboembolic diseases.<\/jats:p>","DOI":"10.1021\/acsomega.3c09335","type":"journal-article","created":{"date-parts":[[2024,2,22]],"date-time":"2024-02-22T09:08:33Z","timestamp":1708592913000},"page":"10694-10708","source":"Crossref","is-referenced-by-count":8,"title":["New Triazole-Based Potent Inhibitors of Human Factor\nXIIa as Anticoagulants"],"prefix":"10.1021","volume":"9","author":[{"given":"Ma\u2019Lik\nD.","family":"Woodland","sequence":"first","affiliation":[{"name":"Xavier University of Louisiana , , , ,","place":["New Orleans, Louisiana, United States, 70125"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Anthony","family":"Thompson","sequence":"additional","affiliation":[{"name":"Xavier University of Louisiana , , , ,","place":["New Orleans, Louisiana, United States, 70125"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Amanda","family":"Lipford","sequence":"additional","affiliation":[{"name":"Xavier University of Louisiana , , , ,","place":["New Orleans, Louisiana, United States, 70125"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2402-2875","authenticated-orcid":true,"given":"Navneet","family":"Goyal","sequence":"additional","affiliation":[{"name":"Xavier University of Louisiana , , , ,","place":["New Orleans, Louisiana, United States, 70125"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"John C.","family":"Schexnaildre","sequence":"additional","affiliation":[{"name":"Xavier University of Louisiana , , , ,","place":["New Orleans, Louisiana, United States, 70125"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Madhusoodanan","family":"Mottamal","sequence":"additional","affiliation":[{"name":"Xavier University of Louisiana , , , ,","place":["New Orleans, Louisiana, United States, 70125"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5675-1127","authenticated-orcid":true,"given":"Daniel K.","family":"Afosah","sequence":"additional","affiliation":[{"name":"Virginia Commonwealth University , , , ,","place":["Richmond, Virginia, United States, 23219"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9146-2662","authenticated-orcid":true,"given":"Rami A.","family":"Al-Horani","sequence":"additional","affiliation":[{"name":"Xavier University of Louisiana , , , ,","place":["New Orleans, Louisiana, United States, 70125"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2024,2,22]]},"reference":[{"issue":"10","key":"2026081709152344000_cit1","doi-asserted-by":"publisher","first-page":"e146","DOI":"10.1161\/CIR.0000000000000485","article-title":"Heart disease and stroke\nstatistics-2017 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Hamaetol."},{"key":"2026081709152344000_cit29","doi-asserted-by":"publisher","first-page":"5302","DOI":"10.1182\/blood-2011-05-355248","article-title":"Selective depletion\nof plasma prekallikrein or coagulation factor XII inhibits thrombosis\nin mice without increased risk of bleeding","volume":"118","author":"Revenko","year":"2011","journal-title":"Blood"},{"key":"2026081709152344000_cit30","doi-asserted-by":"publisher","first-page":"2102","DOI":"10.1182\/blood-2013-12-540872","article-title":"Selective\ndepletion of factor XI\nor factor XII with antisense oligonucleotides attenuates catheter\nthrombosis in rabbits","volume":"123","author":"Yau","year":"2014","journal-title":"Blood."},{"key":"2026081709152344000_cit31","doi-asserted-by":"publisher","first-page":"1739","DOI":"10.1182\/blood-2013-04-499111","article-title":"Factor XII inhibition\nreduces thrombus\nformation in a primate thrombosis model","volume":"123","author":"Matafonov","year":"2014","journal-title":"Blood."},{"issue":"2","key":"2026081709152344000_cit32","doi-asserted-by":"publisher","first-page":"196","DOI":"10.1055\/a-1663-8208","article-title":"Pharmacological Inhibition\nof Factor XIIa Attenuates Abdominal Aortic Aneurysm, Reduces Atherosclerosis,\nand Stabilizes Atherosclerotic Plaques","volume":"122","author":"Searle","year":"2022","journal-title":"Thromb\nHaemost."},{"issue":"12","key":"2026081709152344000_cit33","doi-asserted-by":"publisher","first-page":"1318","DOI":"10.1021\/acsptsci.2c00204","article-title":"Amide-functionalized\n1, 2,4-Triazol-5-amines as Covalent Inhibitors of Blood Coagulation\nFactor XIIa and Thrombin","volume":"5","author":"Imberg","year":"2022","journal-title":"ACS Pharmacol. 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