{"@context":{"@vocab":"https://cir.nii.ac.jp/schema/1.0/","rdfs":"http://www.w3.org/2000/01/rdf-schema#","dc":"http://purl.org/dc/elements/1.1/","dcterms":"http://purl.org/dc/terms/","foaf":"http://xmlns.com/foaf/0.1/","prism":"http://prismstandard.org/namespaces/basic/2.0/","cinii":"http://ci.nii.ac.jp/ns/1.0/","datacite":"https://schema.datacite.org/meta/kernel-4/","ndl":"http://ndl.go.jp/dcndl/terms/","jpcoar":"https://github.com/JPCOAR/schema/blob/master/2.0/"},"@id":"https://cir.nii.ac.jp/crid/1360016870447765376.json","@type":"Article","productIdentifier":[{"identifier":{"@type":"DOI","@value":"10.1021/acs.jmedchem.2c00117"}},{"identifier":{"@type":"URI","@value":"https://pubs.acs.org/doi/pdf/10.1021/acs.jmedchem.2c00117"}},{"identifier":{"@type":"DOI","@value":"10.1101/2022.01.26.477782"}},{"identifier":{"@type":"PMID","@value":"35352927"}}],"dc:title":[{"@value":"Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19"}],"description":[{"notation":[{"@value":"<jats:title>Abstract</jats:title><jats:p>The coronavirus disease 2019 (COVID-19) pandemic, caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), has resulted in millions of deaths and threatens public health and safety. Despite the rapid global spread of COVID-19 vaccines, effective oral antiviral drugs are urgently needed. Here, we describe the discovery of S-217622, the first oral non-covalent, non-peptidic SARS-CoV-2 3CL protease inhibitor clinical candidate. S-217622 was discovered <jats:italic>via</jats:italic> virtual screening followed by biological screening of an in-house compound library, and optimization of the hit compound using a structure-based drug-design strategy. S-217622 exhibited antiviral activity <jats:italic>in vitro</jats:italic> against current outbreaking SARS-CoV-2 variants and showed favorable pharmacokinetic profiles <jats:italic>in vivo</jats:italic> for once-daily oral dosing. Furthermore, S-217622 dose-dependently inhibited intrapulmonary replication of SARS-CoV-2 in mice, indicating that this novel non-covalent inhibitor could be a potential oral agent for treating COVID-19.</jats:p>"}]}],"creator":[{"@id":"https://cir.nii.ac.jp/crid/1380016870447765400","@type":"Researcher","foaf:name":[{"@value":"Yuto Unoh"}],"jpcoar:affiliationName":[{"@value":"Shionogi Pharmaceutical Research Center, 3-1-1 Futaba-cho, Toyonaka, Osaka 561-0825, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380016870447765395","@type":"Researcher","foaf:name":[{"@value":"Shota Uehara"}],"jpcoar:affiliationName":[{"@value":"Shionogi Pharmaceutical Research Center, 3-1-1 Futaba-cho, Toyonaka, Osaka 561-0825, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380016870447765384","@type":"Researcher","foaf:name":[{"@value":"Kenji Nakahara"}],"jpcoar:affiliationName":[{"@value":"Shionogi Pharmaceutical Research Center, 3-1-1 Futaba-cho, Toyonaka, Osaka 561-0825, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380016870447765399","@type":"Researcher","foaf:name":[{"@value":"Haruaki Nobori"}],"jpcoar:affiliationName":[{"@value":"Shionogi Pharmaceutical Research Center, 3-1-1 Futaba-cho, Toyonaka, Osaka 561-0825, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380016870447765387","@type":"Researcher","foaf:name":[{"@value":"Yukiko Yamatsu"}],"jpcoar:affiliationName":[{"@value":"Shionogi Pharmaceutical Research Center, 3-1-1 Futaba-cho, Toyonaka, Osaka 561-0825, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380016870447765397","@type":"Researcher","foaf:name":[{"@value":"Shiho Yamamoto"}],"jpcoar:affiliationName":[{"@value":"Shionogi Pharmaceutical Research Center, 3-1-1 Futaba-cho, Toyonaka, Osaka 561-0825, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380016870447765394","@type":"Researcher","foaf:name":[{"@value":"Yuki Maruyama"}],"jpcoar:affiliationName":[{"@value":"Shionogi Pharmaceutical Research Center, 3-1-1 Futaba-cho, Toyonaka, Osaka 561-0825, Japan"},{"@value":"International Institute for Zoonosis Control, Hokkaido University, Sapporo 001-0020, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380016870447765389","@type":"Researcher","foaf:name":[{"@value":"Yoshiyuki Taoda"}],"jpcoar:affiliationName":[{"@value":"Shionogi Pharmaceutical Research Center, 3-1-1 Futaba-cho, Toyonaka, Osaka 561-0825, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380016870447765391","@type":"Researcher","foaf:name":[{"@value":"Koji Kasamatsu"}],"jpcoar:affiliationName":[{"@value":"Shionogi Pharmaceutical Research Center, 3-1-1 Futaba-cho, Toyonaka, Osaka 561-0825, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380016870447765393","@type":"Researcher","foaf:name":[{"@value":"Takahiro Suto"}],"jpcoar:affiliationName":[{"@value":"Shionogi Pharmaceutical Research Center, 3-1-1 Futaba-cho, Toyonaka, Osaka 561-0825, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380016870447765383","@type":"Researcher","foaf:name":[{"@value":"Kensuke Kouki"}],"jpcoar:affiliationName":[{"@value":"Shionogi Pharmaceutical Research Center, 3-1-1 Futaba-cho, Toyonaka, Osaka 561-0825, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380016870447765377","@type":"Researcher","foaf:name":[{"@value":"Atsufumi Nakahashi"}],"jpcoar:affiliationName":[{"@value":"Shionogi Pharmaceutical Research Center, 3-1-1 Futaba-cho, Toyonaka, Osaka 561-0825, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380016870447765396","@type":"Researcher","foaf:name":[{"@value":"Sho Kawashima"}],"jpcoar:affiliationName":[{"@value":"Shionogi Pharmaceutical Research Center, 3-1-1 Futaba-cho, Toyonaka, Osaka 561-0825, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380016870447765386","@type":"Researcher","foaf:name":[{"@value":"Takao Sanaki"}],"jpcoar:affiliationName":[{"@value":"Shionogi Pharmaceutical Research Center, 3-1-1 Futaba-cho, Toyonaka, Osaka 561-0825, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380016870447765390","@type":"Researcher","foaf:name":[{"@value":"Shinsuke Toba"}],"jpcoar:affiliationName":[{"@value":"Shionogi Pharmaceutical Research Center, 3-1-1 Futaba-cho, Toyonaka, Osaka 561-0825, Japan"},{"@value":"International Institute for Zoonosis Control, Hokkaido University, Sapporo 001-0020, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380016870447765385","@type":"Researcher","foaf:name":[{"@value":"Kentaro Uemura"}],"jpcoar:affiliationName":[{"@value":"Shionogi Pharmaceutical Research Center, 3-1-1 Futaba-cho, Toyonaka, Osaka 561-0825, Japan"},{"@value":"International Institute for Zoonosis Control, Hokkaido University, Sapporo 001-0020, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380016870447765392","@type":"Researcher","foaf:name":[{"@value":"Tohru Mizutare"}],"jpcoar:affiliationName":[{"@value":"Shionogi Pharmaceutical Research Center, 3-1-1 Futaba-cho, Toyonaka, Osaka 561-0825, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380016870447765388","@type":"Researcher","foaf:name":[{"@value":"Shigeru Ando"}],"jpcoar:affiliationName":[{"@value":"Shionogi Pharmaceutical Research Center, 3-1-1 Futaba-cho, Toyonaka, Osaka 561-0825, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380016870447765382","@type":"Researcher","foaf:name":[{"@value":"Michihito Sasaki"}],"jpcoar:affiliationName":[{"@value":"International Institute for Zoonosis Control, Hokkaido University, Sapporo 001-0020, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380016870447765398","@type":"Researcher","foaf:name":[{"@value":"Yasuko Orba"}],"jpcoar:affiliationName":[{"@value":"International Institute for Zoonosis Control, Hokkaido University, Sapporo 001-0020, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380016870447765378","@type":"Researcher","foaf:name":[{"@value":"Hirofumi Sawa"}],"jpcoar:affiliationName":[{"@value":"International Institute for Zoonosis Control, Hokkaido University, Sapporo 001-0020, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380016870447765381","@type":"Researcher","foaf:name":[{"@value":"Akihiko Sato"}],"jpcoar:affiliationName":[{"@value":"Shionogi Pharmaceutical Research Center, 3-1-1 Futaba-cho, Toyonaka, Osaka 561-0825, Japan"},{"@value":"International Institute for Zoonosis Control, Hokkaido University, Sapporo 001-0020, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380016870447765379","@type":"Researcher","foaf:name":[{"@value":"Takafumi Sato"}],"jpcoar:affiliationName":[{"@value":"Shionogi Pharmaceutical Research Center, 3-1-1 Futaba-cho, Toyonaka, Osaka 561-0825, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380016870447765380","@type":"Researcher","foaf:name":[{"@value":"Teruhisa Kato"}],"jpcoar:affiliationName":[{"@value":"Shionogi Pharmaceutical Research Center, 3-1-1 Futaba-cho, Toyonaka, Osaka 561-0825, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380016870447765376","@type":"Researcher","foaf:name":[{"@value":"Yuki Tachibana"}],"jpcoar:affiliationName":[{"@value":"Shionogi Pharmaceutical Research Center, 3-1-1 Futaba-cho, Toyonaka, Osaka 561-0825, Japan"}]}],"publication":{"publicationIdentifier":[{"@type":"PISSN","@value":"00222623"},{"@type":"EISSN","@value":"15204804"}],"prism:publicationName":[{"@value":"Journal of Medicinal Chemistry"}],"dc:publisher":[{"@value":"American Chemical Society (ACS)"}],"prism:publicationDate":"2022-03-30","prism:volume":"65","prism:number":"9","prism:startingPage":"6499","prism:endingPage":"6512"},"reviewed":"false","dcterms:accessRights":"http://purl.org/coar/access_right/c_abf2","dc:rights":["https://creativecommons.org/licenses/by/4.0/"],"url":[{"@id":"https://pubs.acs.org/doi/pdf/10.1021/acs.jmedchem.2c00117"}],"createdAt":"2022-03-30","modifiedAt":"2023-04-26","foaf:topic":[{"@id":"https://cir.nii.ac.jp/all?q=Mice","dc:title":"Mice"},{"@id":"https://cir.nii.ac.jp/all?q=COVID-19%20Vaccines","dc:title":"COVID-19 Vaccines"},{"@id":"https://cir.nii.ac.jp/all?q=SARS-CoV-2","dc:title":"SARS-CoV-2"},{"@id":"https://cir.nii.ac.jp/all?q=Animals","dc:title":"Animals"},{"@id":"https://cir.nii.ac.jp/all?q=Humans","dc:title":"Humans"},{"@id":"https://cir.nii.ac.jp/all?q=Protease%20Inhibitors","dc:title":"Protease Inhibitors"},{"@id":"https://cir.nii.ac.jp/all?q=Antiviral%20Agents","dc:title":"Antiviral Agents"},{"@id":"https://cir.nii.ac.jp/all?q=Coronavirus%203C%20Proteases","dc:title":"Coronavirus 3C Proteases"},{"@id":"https://cir.nii.ac.jp/all?q=COVID-19%20Drug%20Treatment","dc:title":"COVID-19 Drug Treatment"}],"relatedProduct":[{"@id":"https://cir.nii.ac.jp/crid/1050026969442752896","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@language":"en","@value":"Onnamide A suppresses the severe acute respiratory syndrome-coronavirus 2 infection without inhibiting 3-chymotrypsin-like cysteine 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