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Page 1
The freedom space - a new set of commercially available molecules for hit discovery.
Protopopov MV, Tararina VV, Bonachera F, Dzyuba IM, Kapeliukha A, Hlotov S, Chuk O, Marcou G, Klimchuk O, Horvath D, Yeghyan E, Savych O, Tarkhanova OO, Varnek A, Moroz YS. Protopopov MV, et al. Among authors: savych o. Mol Inform. 2024 Aug 22:e202400114. doi: 10.1002/minf.202400114. Online ahead of print. Mol Inform. 2024. PMID: 39171757
Synthon-based ligand discovery in virtual libraries of over 11 billion compounds.
Sadybekov AA, Sadybekov AV, Liu Y, Iliopoulos-Tsoutsouvas C, Huang XP, Pickett J, Houser B, Patel N, Tran NK, Tong F, Zvonok N, Jain MK, Savych O, Radchenko DS, Nikas SP, Petasis NA, Moroz YS, Roth BL, Makriyannis A, Katritch V. Sadybekov AA, et al. Among authors: savych o. Nature. 2022 Jan;601(7893):452-459. doi: 10.1038/s41586-021-04220-9. Epub 2021 Dec 15. Nature. 2022. PMID: 34912117 Free PMC article.
Virtual discovery of melatonin receptor ligands to modulate circadian rhythms.
Stein RM, Kang HJ, McCorvy JD, Glatfelter GC, Jones AJ, Che T, Slocum S, Huang XP, Savych O, Moroz YS, Stauch B, Johansson LC, Cherezov V, Kenakin T, Irwin JJ, Shoichet BK, Roth BL, Dubocovich ML. Stein RM, et al. Among authors: savych o. Nature. 2020 Mar;579(7800):609-614. doi: 10.1038/s41586-020-2027-0. Epub 2020 Feb 10. Nature. 2020. PMID: 32040955 Free PMC article.
SAR by Space: Enriching Hit Sets from the Chemical Space.
Klingler FM, Gastreich M, Grygorenko OO, Savych O, Borysko P, Griniukova A, Gubina KE, Lemmen C, Moroz YS. Klingler FM, et al. Among authors: savych o. Molecules. 2019 Aug 26;24(17):3096. doi: 10.3390/molecules24173096. Molecules. 2019. PMID: 31454992 Free PMC article.
One-Pot Parallel Synthesis of 5-(Dialkylamino)tetrazoles.
Savych O, Kuchkovska YO, Bogolyubsky AV, Konovets AI, Gubina KE, Pipko SE, Zhemera AV, Grishchenko AV, Khomenko DN, Brovarets VS, Doroschuk R, Moroz YS, Grygorenko OO. Savych O, et al. ACS Comb Sci. 2019 Sep 9;21(9):635-642. doi: 10.1021/acscombsci.9b00120. Epub 2019 Aug 29. ACS Comb Sci. 2019. PMID: 31437394 Free PMC article.
Evolution of commercially available compounds for HTS.
Volochnyuk DM, Ryabukhin SV, Moroz YS, Savych O, Chuprina A, Horvath D, Zabolotna Y, Varnek A, Judd DB. Volochnyuk DM, et al. Among authors: savych o. Drug Discov Today. 2019 Feb;24(2):390-402. doi: 10.1016/j.drudis.2018.10.016. Epub 2018 Nov 3. Drug Discov Today. 2019. PMID: 30399443 Free article. Review.
Facile One-Pot Parallel Synthesis of 3-Amino-1,2,4-triazoles.
Bogolyubsky AV, Savych O, Zhemera AV, Pipko SE, Grishchenko AV, Konovets AI, Doroshchuk RO, Khomenko DN, Brovarets VS, Moroz YS, Vybornyi M. Bogolyubsky AV, et al. Among authors: savych o. ACS Comb Sci. 2018 Jul 9;20(7):461-466. doi: 10.1021/acscombsci.8b00060. Epub 2018 Jun 18. ACS Comb Sci. 2018. PMID: 29874036