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In Vitro Evaluation of In Silico Screening Approaches in Search for Selective ACE2 Binding Chemical Probes.

Autor: Rayevsky, Alexey V.^1,2 (AUTHOR), Poturai, Andrii S.¹ (AUTHOR), Kravets, Iryna O.^1,3 (AUTHOR), Pashenko, Alexander E.^1,4,5 (AUTHOR), Borisova, Tatiana A.⁶ (AUTHOR), Tolstanova, Ganna M.⁴ (AUTHOR), Volochnyuk, Dmitriy M.^1,3,4 (AUTHOR), Borysko, Petro O.¹ (AUTHOR), Vadzyuk, Olga B.¹ (AUTHOR), Alieksieieva, Diana O.¹ (AUTHOR), Zabolotna, Yuliana⁷ (AUTHOR), Klimchuk, Olga⁷ (AUTHOR), Horvath, Dragos⁷ (AUTHOR), Marcou, Gilles⁷ (AUTHOR), Ryabukhin, Sergey V.^1,4,5 (AUTHOR) s.v.ryabukhin@gmail.com, Varnek, Alexandre⁷ (AUTHOR) s.v.ryabukhin@gmail.com

Publikováno v: Molecules. Sep2022, Vol. 27 Issue 17, p5400. 18p.

Integrated workflow for the identification of new GABAAR positive allosteric modulators based on the in silico screening with further in vitro validation. Case study using Enamine's stock chemical space.

Autor: Platonov, Maksym, Maximyuk, Oleksandr, Rayevsky, Alexey, Iegorova, Olena, Hurmach, Vasyl, Holota, Yuliia, Bulgakov, Elijah, Cherninskyi, Andrii, Karpov, Pavel, Ryabukhin, Sergey, Krishtal, Oleg, Volochnyuk, Dmitriy

Publikováno v: Molecular Informatics; Feb2024, Vol. 43 Issue 2, p1-12, 12p

Structure‐based virtual screening and biological evaluation of novel inhibitors of mycobacterium Z‐ring formation

Autor: Rayevsky Alexey, Samofalova Dariya, Ishchenko Liudmyla, Vygovska Lilia, Mazur Valeriy, Labudzynskyi Dmytro, Borysov Oleksandr, Spivak Svitlana, Ozheredov Sergii, Bulgakov Elijah, Stykhylias Mariia, Blume Yaroslav, Karpov Pavel

Publikováno v: Journal of Cellular Biochemistry. 123:852-862

The major part of commercial prodrugs against Mycobacterium tuberculosis (Mtb) demonstrated a significant inhibitory effect on cell division and inhibition of bacterial growth in vitro. However, further implementation often failed to overcome the com

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::49d20a767d6ff3eedb43673fa507c20d
https://doi.org/10.1002/jcb.30232