Synthesis, X-ray crystal structure, Hirshfeld surface analysis, and molecular docking study of novel inhibitor of hepatitis B: methyl 4-fluoro-3-(morpholinosulfonyl)benzo[b]thiophene-2-carboxylate

Autor: Alexandre V. Ivachtchenko, Oleg D. Mitkin, Dmitry V. Kravchenko, Sergiy M. Kovalenko, Svitlana V. Shishkina, Natalya D. Bunyatyan, Irina S. Konovalova, Irina G. Dmitrieva, Vladimir V. Ivanov, Thierry Langer

Publikováno v: Heliyon, Vol 5, Iss 11, Pp e02738- (2019)

A method of 4-fluoro-3-(morpholinosulfonyl)benzo[b]thiophene-2-carboxylate synthesis has been developed and the electronic and spatial structure of a new biologically active molecule has been studied both theoretically and experimentally. The title c

Externí odkaz: https://doaj.org/article/7b67a76efa7044ccaf00aade0b5cf5a0

Synthesis, X-Ray Crystal Structure, Hirshfeld Surface Analysis, and Molecular Docking Study of Novel Hepatitis B (HBV) Inhibitor: 8-Fluoro-5-(4-fluorobenzyl)-3-(2-methoxybenzyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one

Autor: Aleksandr V. Ivashchenko, Oleg D. Mitkin, Dmitry V. Kravchenko, Irina V. Kuznetsova, Sergiy M. Kovalenko, Natalya D. Bunyatyan, Thierry Langer

Publikováno v: Crystals, Vol 9, Iss 8, p 379 (2019)

A method for the synthesis of 8-fluoro-5-(4-fluorobenzyl)-3-(2-methoxybenzyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one has been developed and the electronic and spatial structure of a new biologically active molecule has been studied both theoretica

Externí odkaz: https://doaj.org/article/ca92aae01e1649798a4f350fbb0e73e9

Crystal structure, Hirshfeld analysis and a molecular docking study of a new inhibitor of the Hepatitis B virus (HBV): ethyl 5-methyl-1,1-dioxo-2-{[5-(pentan-3-yl)-1,2,4-oxadiazol-3-yl]methyl}-2H-1,2,6-thiadiazine-4-carboxylate

Autor: Oleg D. Mitkin, Vladimir V. Ivanov, Alexandre V. Ivachtchenko, Dmitry V. Kravchenko, Thierry Langer, Sergiy M. Kovalenko

Publikováno v: Acta Crystallographica Section E: Crystallographic Communications
Acta Crystallographica Section E: Crystallographic Communications, Vol 76, Iss 1, Pp 12-17 (2020)

The title compound, a new inhibitor of the Hepatitis B virus (HBV), was prepared via alkyl­ation of 3-(chloro­meth­yl)-5-(pentan-3-yl)-1,2,4-oxa­diazole in anhydrous dioxane in the presence of tri­ethyl­amine.
The title compound, C15H22N4O

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::be1e76546d2cbb58093c35563e2360f7
https://doi.org/10.1107/s2056989019015986

Non-rigid Diarylmethyl Analogs of Baloxavir as Cap-Dependent Endonuclease Inhibitors of Influenza Viruses

Autor: Ruben N. Karapetian, Alexey A Ryakhovskiy, Alexander V Nikitin, Oleg D. Mitkin, Elena A. Govorkova, Angela G. Koryakova, Jeremy C. Jones, Irina A. Leneva, Ekaterina A Glubokova, Alexandre V. Ivachtchenko, Andrei A Ivashchenko, Dmitry V. Kravchenko, Vladimir A. Aladinskiy, Irina N. Falynskova

Publikováno v: Journal of medicinal chemistry. 63(17)

4-Substituted 2,4-dioxobutanoic acids inhibit influenza virus cap-dependent endonuclease (CEN) activity. Baloxavir marboxil, 4, is approved for treating influenza virus infections. We describe here the synthesis and biological evaluation of active co

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::022d1a84b768d5321d984a772603a4c5
https://pubmed.ncbi.nlm.nih.gov/32787099

Synthesis, X-ray crystal structure, Hirshfeld surface analysis, and molecular docking study of novel inhibitor of hepatitis B: methyl 4-fluoro-3-(morpholinosulfonyl)benzo[b]thiophene-2-carboxylate

Autor: Dmitry V. Kravchenko, Svitlana V. Shishkina, Vladimir V. Ivanov, Sergiy M. Kovalenko, Oleg D. Mitkin, Alexandre V. Ivachtchenko, Irina G. Dmitrieva, Thierry Langer, Irina S. Konovalova, N. D. Bunyatyan

Publikováno v: Heliyon
Heliyon, Vol 5, Iss 11, Pp e02738-(2019)

A method of 4-fluoro-3-(morpholinosulfonyl)benzo[b]thiophene-2-carboxylate synthesis has been developed and the electronic and spatial structure of a new biologically active molecule has been studied both theoretically and experimentally. The title c

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::48dd32b832a80720d826d2ba5909a1eb
http://europepmc.org/articles/PMC6895763