{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,18]],"date-time":"2026-08-18T05:15:23Z","timestamp":1787030123899,"version":"build-2736575974"},"reference-count":52,"publisher":"MDPI AG","issue":"1","license":[{"start":{"date-parts":[[2022,12,21]],"date-time":"2022-12-21T00:00:00Z","timestamp":1671580800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Russian Ministry of Education and Science","award":["1021052605829-1-1.4.1"],"award-info":[{"award-number":["1021052605829-1-1.4.1"]}]},{"name":"Russian Ministry of Education and Science","award":["075-15-2021-1355"],"award-info":[{"award-number":["075-15-2021-1355"]}]},{"DOI":"10.13039\/501100012190","name":"Ministry of Science and Higher Education of the Russian Federation","doi-asserted-by":"publisher","award":["1021052605829-1-1.4.1"],"award-info":[{"award-number":["1021052605829-1-1.4.1"]}],"id":[{"id":"10.13039\/501100012190","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100012190","name":"Ministry of Science and Higher Education of the Russian Federation","doi-asserted-by":"publisher","award":["075-15-2021-1355"],"award-info":[{"award-number":["075-15-2021-1355"]}],"id":[{"id":"10.13039\/501100012190","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Viruses"],"abstract":"<jats:p>Despite the fact that the variola virus is considered eradicated, the search for new small molecules with activity against orthopoxviruses remains an important task, especially in the context of recent outbreaks of monkeypox. As a result of this work, a number of amides of benzoic acids containing an adamantane fragment were obtained. Most of the compounds demonstrated activity against vaccinia virus, with a selectivity index SI = 18,214 for the leader compound 18a. The obtained derivatives also demonstrated activity against murine pox (250 \u2264 SI \u2264 6071) and cowpox (125 \u2264 SI \u2264 3036). A correlation was obtained between the IC50 meanings and the binding energy to the assumed biological target, the p37 viral protein with R2 = 0.60.<\/jats:p>","DOI":"10.3390\/v15010029","type":"journal-article","created":{"date-parts":[[2022,12,22]],"date-time":"2022-12-22T02:06:14Z","timestamp":1671674774000},"page":"29","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":18,"title":["Structure-Based Design, Synthesis, and Biological Evaluation of the Cage\u2013Amide Derived Orthopox Virus Replication Inhibitors"],"prefix":"10.3390","volume":"15","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-5344-9499","authenticated-orcid":false,"given":"Evgenii S.","family":"Mozhaitsev","sequence":"first","affiliation":[{"name":"Department of Medicinal Chemistry, N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry SB RAS, Lavrentyev Ave. 9, 630090 Novosibirsk, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0988-0502","authenticated-orcid":false,"given":"Evgeniy V.","family":"Suslov","sequence":"additional","affiliation":[{"name":"Department of Medicinal Chemistry, N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry SB RAS, Lavrentyev Ave. 9, 630090 Novosibirsk, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Daria A.","family":"Rastrepaeva","sequence":"additional","affiliation":[{"name":"Department of Medicinal Chemistry, N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry SB RAS, Lavrentyev Ave. 9, 630090 Novosibirsk, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2333-4893","authenticated-orcid":false,"given":"Olga I.","family":"Yarovaya","sequence":"additional","affiliation":[{"name":"Department of Medicinal Chemistry, N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry SB RAS, Lavrentyev Ave. 9, 630090 Novosibirsk, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8481-0470","authenticated-orcid":false,"given":"Sophia S.","family":"Borisevich","sequence":"additional","affiliation":[{"name":"Laboratory of Chemical Physics, Laboratory of Physical and Chemical Methods of Analysis, Ufa Institute of Chemistry Ufa Federal Research Center, 71 Pr. Oktyabrya, 450078 Ufa, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8987-4254","authenticated-orcid":false,"given":"Edward M.","family":"Khamitov","sequence":"additional","affiliation":[{"name":"Laboratory of Chemical Physics, Laboratory of Physical and Chemical Methods of Analysis, Ufa Institute of Chemistry Ufa Federal Research Center, 71 Pr. Oktyabrya, 450078 Ufa, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8988-5703","authenticated-orcid":false,"given":"Dmitry S.","family":"Kolybalov","sequence":"additional","affiliation":[{"name":"Synchrotron Radiation Facility SKIF, G.K. Boreskov Institute of Catalysis SB RAS, 630559 Koltsovo, Russia"},{"name":"Scientific Educational Center \u201cInstitute of Chemical Technology\u201d, Novosibirsk State University, 630090 Novosibirsk, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4812-3037","authenticated-orcid":false,"given":"Sergey G.","family":"Arkhipov","sequence":"additional","affiliation":[{"name":"Synchrotron Radiation Facility SKIF, G.K. Boreskov Institute of Catalysis SB RAS, 630559 Koltsovo, Russia"},{"name":"Scientific Educational Center \u201cInstitute of Chemical Technology\u201d, Novosibirsk State University, 630090 Novosibirsk, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nikolai I.","family":"Bormotov","sequence":"additional","affiliation":[{"name":"State Research Center of Virology and Biotechnology VECTOR, Rospotrebnadzor, 630559 Koltsovo, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8264-0217","authenticated-orcid":false,"given":"Larisa N.","family":"Shishkina","sequence":"additional","affiliation":[{"name":"State Research Center of Virology and Biotechnology VECTOR, Rospotrebnadzor, 630559 Koltsovo, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Olga A.","family":"Serova","sequence":"additional","affiliation":[{"name":"State Research Center of Virology and Biotechnology VECTOR, Rospotrebnadzor, 630559 Koltsovo, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4678-4181","authenticated-orcid":false,"given":"Roman V.","family":"Brunilin","sequence":"additional","affiliation":[{"name":"Department of Analytical, Physical Chemistry and Polymer Chemistry and Physics, Department of Organic Chemistry, Volgograd State Technical University Lenina, Avenue 28, 400005 Volgograd, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6456-0910","authenticated-orcid":false,"given":"Andrey A.","family":"Vernigora","sequence":"additional","affiliation":[{"name":"Department of Analytical, Physical Chemistry and Polymer Chemistry and Physics, Department of Organic Chemistry, Volgograd State Technical University Lenina, Avenue 28, 400005 Volgograd, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Maxim B.","family":"Nawrozkij","sequence":"additional","affiliation":[{"name":"Center of Translational Medicine, Sirius University of Science and Technology, Olympic Avenue 1, Krasnodar Krai, 354340 Sirius, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2577-0434","authenticated-orcid":false,"given":"Alexander P.","family":"Agafonov","sequence":"additional","affiliation":[{"name":"State Research Center of Virology and Biotechnology VECTOR, Rospotrebnadzor, 630559 Koltsovo, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rinat A.","family":"Maksyutov","sequence":"additional","affiliation":[{"name":"State Research Center of Virology and Biotechnology VECTOR, Rospotrebnadzor, 630559 Koltsovo, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4083-9324","authenticated-orcid":false,"given":"Konstantin P.","family":"Volcho","sequence":"additional","affiliation":[{"name":"Department of Medicinal Chemistry, N.N. 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