Structure-Based Design, Synthesis, and Biological Evaluation of the Cage–Amide Derived Orthopox Virus Replication Inhibitors | Sciact - CRIS-система Института катализа

Structure-Based Design, Synthesis, and Biological Evaluation of the Cage–Amide Derived Orthopox Virus Replication Inhibitors Научная публикация

Журнал

Viruses
, E-ISSN: 1999-4915

Вых. Данные

Год: 2023, Том: 15, Номер: 1, Номер статьи : 29, Страниц : 16 DOI: 10.3390/v15010029

Ключевые слова

adamantane; amides; antipox activity; p37

Авторы

Mozhaitsev Evgenii S. ¹ , Suslov Evgeniy V. ¹ , Rastrepaeva Daria A. ¹ , Yarovaya Olga I. ¹ , Borisevich Sophia S. ² , Khamitov Edward M. ² , Kolybalov Dmitry S. ^3,4 , Arkhipov Sergey G. ^3,4 , Bormotov Nikolai I. ⁵ , Shishkina Larisa N. ⁵ , Serova Olga A. ⁵ , Brunilin Roman V. ⁶ , Vernigora Andrey A. ⁶ , Nawrozkij Maxim B. ⁷ , Agafonov Alexander P. ⁵ , Maksyutov Rinat A. ⁵ , Volcho Konstantin P. ¹ , Salakhutdinov Nariman F. ¹

Организации

1	Department of Medicinal Chemistry, N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry SB RAS, Lavrentyev av. 9, 630090 Novosibirsk, Russia
2	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
3	Synchrotron Radiation Facility SKIF, G.K. Boreskov Institute of Catalysis SB RAS, 630559 Koltsovo, Russia
4	Scientific Educational Center “Institute of Chemical Technology”, Novosibirsk State University, 630090 Novosibirsk, Russia
5	State Research Center of Virology and Biotechnology VECTOR, Rospotrebnadzor, 630559 Koltsovo, Russia
6	Department of Analytical, Physical chemistry and Polymer chemistry and physics, Department of organic chemistry, Volgograd State Technical University Lenina, Avenue 28, 400005 Volgograd, Russia
7	Center of translational medicine, Sirius University of Science and Technology, Olympic Avenue 1, Krasnodar Krai, 354340 Sirius, Russia

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 ≤ SI ≤ 6071) and cowpox (125 ≤ SI ≤ 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.

Mozhaitsev E.S. , Suslov E.V. , Rastrepaeva D.A. , Yarovaya O.I. , Borisevich S.S. , Khamitov E.M. , Kolybalov D.S. , Arkhipov S.G. , Bormotov N.I. , Shishkina L.N. , Serova O.A. , Brunilin R.V. , Vernigora A.A. , Nawrozkij M.B. , Agafonov A.P. , Maksyutov R.A. , Volcho K.P. , Salakhutdinov N.F.
Structure-Based Design, Synthesis, and Biological Evaluation of the Cage–Amide Derived Orthopox Virus Replication Inhibitors
Viruses. 2023. V.15. N1. 29 :1-16. DOI: 10.3390/v15010029 WOS Scopus РИНЦ CAPlusCA PMID OpenAlex СКИФ ID

Поступила в редакцию:	2 дек. 2022 г.
Принята к публикации:	19 дек. 2022 г.
Опубликована online:	21 дек. 2022 г.
Опубликована в печати:	1 янв. 2023 г.

Web of science:	WOS:000927718700001
Scopus:	2-s2.0-85147045547
РИНЦ:	54497692
Chemical Abstracts:	2023:197530
Chemical Abstracts (print):	181:405826
PMID (PubMed):	36680072
OpenAlex:	W4313533516
СКИФ ID:	1056

БД	Цитирований
Scopus	10
OpenAlex	12
Web of science	8