{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,31]],"date-time":"2026-08-31T15:10:52Z","timestamp":1788189052958,"version":"build-2803163510"},"reference-count":42,"publisher":"Wiley","issue":"3","license":[{"start":{"date-parts":[[2022,11,20]],"date-time":"2022-11-20T00:00:00Z","timestamp":1668902400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Chem Biol Drug Des"],"published-print":{"date-parts":[[2023,3]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>The coronavirus pandemic known as COVID\u201019 caused by severe acute respiratory syndrome coronavirus 2, threatens public health worldwide. Approval of COVID\u201019 vaccines and antiviral drugs have greatly reduced the severe cases and mortality rate. However, the continuous mutations of viruses are challenging the efficacies of vaccines and antiviral drugs. A drug repurposing campaign has identified two JAK1\/2 inhibitors ruxolitinib and baricitinib as potential antiviral drugs. Ruxolitinib and baricitinib exert dual antiviral effect by modulation of inflammatory response via JAK1\/2 and inhibition of viral entry via AAK1 and GAK. Inspired by this, in an effort to diversify chemical space, three analogues ((<jats:italic>R<\/jats:italic>)\u2010<jats:bold>8<\/jats:bold>, (<jats:italic>S<\/jats:italic>)\u2010<jats:bold>8<\/jats:bold>, and <jats:bold>9<\/jats:bold>) of ruxolitinib and baricitinb were made using a scaffold hopping strategy. Compound <jats:bold>9<\/jats:bold> displayed potent and comparable potencies against AAK1, JAK1, and JAK2 compared to baricitinib. Notably, compound <jats:bold>9<\/jats:bold> showed better selectivity for AAK1, JAK1, and JAK2 over GAK. Besides, compound <jats:bold>9<\/jats:bold> displayed good druglikeness according to Lipinski's and Veber's rule. We thereby identified a potential lead compound <jats:bold>9<\/jats:bold>, which might be used for the further development of anti\u2010coronaviral therapy.<\/jats:p>","DOI":"10.1111\/cbdd.14179","type":"journal-article","created":{"date-parts":[[2022,11,11]],"date-time":"2022-11-11T08:54:35Z","timestamp":1668156875000},"page":"760-771","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":9,"title":["Design, synthesis, and biological evaluation of novel ruxolitinib and baricitinib analogues for potential use against COVID\u201019"],"prefix":"10.1111","volume":"101","author":[{"given":"Qin","family":"Lin","sequence":"first","affiliation":[{"name":"School of Medicine and Pharmaceutical Engineering, Taizhou Vocational and Technical College  Zhejiang China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jun","family":"Li","sequence":"additional","affiliation":[{"name":"The Obstetrics and Gynecology Hospital of Medical Center of Fudan University  Shanghai China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yinping","family":"Wang","sequence":"additional","affiliation":[{"name":"School of Medicine and Pharmaceutical Engineering, Taizhou Vocational and Technical College  Zhejiang China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jie","family":"Zang","sequence":"additional","affiliation":[{"name":"Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences University of Copenhagen  Copenhagen Denmark"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2022,11,20]]},"reference":[{"key":"e_1_2_7_2_1","doi-asserted-by":"publisher","DOI":"10.1172\/JCI89857"},{"key":"e_1_2_7_3_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jaci.2020.05.019"},{"key":"e_1_2_7_4_1","doi-asserted-by":"publisher","DOI":"10.3389\/fmed.2020.00466"},{"key":"e_1_2_7_5_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41375-021-01266-6"},{"key":"e_1_2_7_6_1","doi-asserted-by":"publisher","DOI":"10.1186\/s13054-020-03020-3"},{"key":"e_1_2_7_7_1","doi-asserted-by":"publisher","DOI":"10.1136\/bmj.n2984"},{"key":"e_1_2_7_8_1","doi-asserted-by":"publisher","DOI":"10.1016\/S2213-2600(22)00006-6"},{"key":"e_1_2_7_9_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cell.2020.02.052"},{"key":"e_1_2_7_10_1","doi-asserted-by":"publisher","DOI":"10.1016\/S2213-2600(20)30226-5"},{"key":"e_1_2_7_11_1","doi-asserted-by":"publisher","DOI":"10.1056\/NEJMoa2031994"},{"key":"e_1_2_7_12_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41584-019-0337-0"},{"key":"e_1_2_7_13_1","doi-asserted-by":"publisher","DOI":"10.1007\/s40265-022-01692-5"},{"key":"e_1_2_7_14_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41375-020-0891-0"},{"key":"e_1_2_7_15_1","doi-asserted-by":"publisher","DOI":"10.1080\/14787210.2021.1982695"},{"key":"e_1_2_7_16_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0169-409X(00)00129-0"},{"key":"e_1_2_7_17_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0140-6736(20)30251-8"},{"key":"e_1_2_7_18_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.tips.2020.06.007"},{"key":"e_1_2_7_19_1","doi-asserted-by":"publisher","DOI":"10.1016\/S2213-2600(21)00331-3"},{"key":"e_1_2_7_20_1","doi-asserted-by":"publisher","DOI":"10.1158\/1078-0432.CCR-11-3145"},{"issue":"7","key":"e_1_2_7_21_1","doi-asserted-by":"crossref","first-page":"460","DOI":"10.1038\/nrd.2018.112","article-title":"FDA approves Eli Lilly's baricitinib","volume":"17","author":"Mullard A.","year":"2018","journal-title":"Nature Reviews. 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