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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: moroz ys. 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.
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: moroz ys. 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
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: moroz ys. 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.
Ultra-large library docking for discovering new chemotypes.
Lyu J, Wang S, Balius TE, Singh I, Levit A, Moroz YS, O'Meara MJ, Che T, Algaa E, Tolmachova K, Tolmachev AA, Shoichet BK, Roth BL, Irwin JJ. Lyu J, et al. Among authors: moroz ys. Nature. 2019 Feb;566(7743):224-229. doi: 10.1038/s41586-019-0917-9. Epub 2019 Feb 6. Nature. 2019. PMID: 30728502 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. Among authors: moroz ys. 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.
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: moroz ys. Molecules. 2019 Aug 26;24(17):3096. doi: 10.3390/molecules24173096. Molecules. 2019. PMID: 31454992 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: moroz ys. 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.
An open-source drug discovery platform enables ultra-large virtual screens.
Gorgulla C, Boeszoermenyi A, Wang ZF, Fischer PD, Coote PW, Padmanabha Das KM, Malets YS, Radchenko DS, Moroz YS, Scott DA, Fackeldey K, Hoffmann M, Iavniuk I, Wagner G, Arthanari H. Gorgulla C, et al. Among authors: moroz ys. Nature. 2020 Apr;580(7805):663-668. doi: 10.1038/s41586-020-2117-z. Epub 2020 Mar 9. Nature. 2020. PMID: 32152607 Free PMC article.
85 results