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In Vitro Evaluation of In Silico Screening Approaches in Search for Selective ACE2 Binding Chemical Probes.
Rayevsky AV, Poturai AS, Kravets IO, Pashenko AE, Borisova TA, Tolstanova GM, Volochnyuk DM, Borysko PO, Vadzyuk OB, Alieksieieva DO, Zabolotna Y, Klimchuk O, Horvath D, Marcou G, Ryabukhin SV, Varnek A. Rayevsky AV, et al. Among authors: volochnyuk dm. Molecules. 2022 Aug 24;27(17):5400. doi: 10.3390/molecules27175400. Molecules. 2022. PMID: 36080168 Free PMC article.
Integrated workflow for the identification of new GABAA R positive allosteric modulators based on the in silico screening with further in vitro validation. Case study using Enamine's stock chemical space.
Platonov M, Maximyuk O, Rayevsky A, Iegorova O, Hurmach V, Holota Y, Bulgakov E, Cherninskyi A, Karpov P, Ryabukhin S, Krishtal O, Volochnyuk D. Platonov M, et al. Among authors: volochnyuk d. Mol Inform. 2024 Feb;43(2):e202300156. doi: 10.1002/minf.202300156. Epub 2024 Jan 24. Mol Inform. 2024. PMID: 37964718
Neuromodulation by selective angiotensin-converting enzyme 2 inhibitors.
Pozdnyakova N, Krisanova N, Pastukhov A, Tarasenko A, Dudarenko M, Chernykh A, Pashenko A, Ryabukhin S, Tolstanova G, Volochnyuk D, Borisova T. Pozdnyakova N, et al. Among authors: volochnyuk d. Neuroscience. 2022 Aug 21;498:155-173. doi: 10.1016/j.neuroscience.2022.07.003. Epub 2022 Jul 8. Neuroscience. 2022. PMID: 35817218 Free article.
69 results