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3-Oxabicyclo[3.1.1]heptane as an Isostere for meta-Benzene

Angew Chem Int Ed Engl 2025, e202505519

DOI: 10.1002/anie.202505519

Mykhailiuk P. K. and Dibchak D.

Bridged Bicyclic γ-Sultams by Intramolecular Flow Photochemical [2 + 2] Cycloaddition

Org. Lett. 2025, 27, 12, 2858–2862

DOI: 10.1021/acs.orglett.5c00314

Zaika Y.; Borodin I.; Olekh H.; Kovalov M.; Diachenko O.; Brovarets V. et al.

Concise practical avenues toward 5,5-spiro-alpha-prolines

Org Biomol Chem 2025, in press

DOI: 10.1039/d4ob01669f

Iermolenko I.; Artemenko A.; Vasko D.; Shcherbyna A.; Datsenko O.; Ostapchuk E. et al.

Rapid traversal of vast chemical space using machine learning-guided docking screens

Nat Comput Sci 2025, in press

DOI: 10.1038/s43588-025-00777-x

Luttens A.; Cabeza de Vaca I.; Sparring L.; Brea J.; Martinez A. L.; Kahlous N. A. et al.

Virtual library docking for cannabinoid-1 receptor agonists with reduced side effects

Nat Commun 2025, 16 (1), 2237

DOI: 10.1038/s41467-025-57136-7

Tummino T. A.; Iliopoulos-Tsoutsouvas C.; Braz J. M.; O'Brien E. S.; Stein R. M.; Craik V. et al.
Synthesis of Fused sp3-Enriched Imidazoles

Synthesis of Fused sp3-Enriched Imidazoles

ChemistryOpen 2025, 14 (3), e202400272

DOI: 10.1002/open.202400272

Lysenko V.; Portiankin A.; Shvydenko T.; Shishkina S.; Nazarenko K.; Kostyuk A.

Virtual fragment screening for DNA repair inhibitors in vast chemical space

Nat Commun 2025, 16 (1), 1741

DOI: 10.1038/s41467-025-56893-9

Luttens A.; Vo D.;Scaletti E.; Wiita E.; Almlof I.; Wallner O. et al.

“Angular” Spirocyclic Azetidines: Synthesis, Characterization, and Evaluation in Drug Discovery

Angew Chem Int Ed Engl 2025, 64 (7), e202418850

DOI: 10.1002/anie.202418850

Kirichok A. A.; Tkachuk H.; Levchenko K.; Granat D.; Yegorova T.; Lesyk D.; Anisiforova A.; Holota Y.; Zomchak V.; Bodenchuk I.; Kosach V.; Borysko P.; Korzh R. A.; Al-Maali G.; Kubyshkin V.; Rzepa H. S.; Mykhailiuk P. K.

Novel Endocytosis Inhibitors Block Entry of HIV-1 Tat into Neural Cells

Am. J. Physiol. Cell Physiol. 2025, 328 (2), C404-C413

DOI: 10.1152/ajpcell.00723.2024

Szewczyk-Roszczenko O.; Roszczenko P.; Shmakova A.; Yushyn I.; Holota S.; Karpenko O. et al.

Synthesis, antibacterial and anticancer activity of azo-based and aminomethylene derivatives of cyclic β-keto sulfones

Bioorg. Med. Chem. Lett. 2025, 120, 130115

DOI: 10.1016/j.bmcl.2025.130115

Milokhov D.; Balabushko M.; Kolomiets A.; Rabotnikova S.; Virych P.; Poliudov A. et al.

A reagent to access methyl sulfones

Nat. Commun. 2025, 16 (1), 1132.

DOI: 10.1038/s41467-024-55027-x

Poplavskyi Y.; Ripenko V.; Bova S.; Biitseva A.; Dmitriv Y. et al.

Enantioselective Protein Affinity Selection Mass Spectrometry (EAS-MS)

bioRxiv 2025, in press

DOI: 10.1101/2025.01.17.633682

Wang X.; Sun J.; Ahmad S.; Yang D.; Li F.; Chan U. et al.

Filling the Gap in LogP and pKa Evaluation for Saturated Fluorine-Containing Derivatives With Machine Learning

J Comput Chem 2025, 46 (2), e70002

DOI: 10.1002/jcc.70002

Gurbych O.; Pavliuk P.; Krasnienkov D.; Liashuk O.; Melnykov K. Grygorenko O.

Structural Insight on the Selectivity of Calyx[4]Arene-Based Inhibitors of Mg(2+−)Dependent Atp-Hydrolases

Mol Inform 2025, 44 (1), e202400200

DOI: 10.1002/minf.202400200

Rayevsky A.; Platonov M.; Elijah B.; Volochnyuk D.; Veklich T.; Cherenok S.; Rodik R.; Kalchenko V.; Kosterin S.

Saturated F2-Rings from Alkenes

Angew. Chem. Int. Ed. 2025, 64 (14), e202422899

DOI: 10.1002/anie.202422899

Li Y.; Liu X.; Sham V.; Logvinenko I.; Xue J.; Wu J.; Fu J. et al.

Synthesis, structures and Hirshfeld surface analyses of 2-hy-droxy-N'-methyl-acetohydrazide and 2-hy-droxy-N-methyl-acetohydrazide

Acta Crystallogr. E 2024, 80 (11), 1170-1174

DOI: 10.1107/S2056989024009526

Vashchenko O.; Khomenko D.; Dyakonenko V. and Lampeka R.

The impact of Library Size and Scale of Testing on Virtual Screening

Nat. Chem. Biol. 2025, in press

DOI: 10.1038/s41589-024-01797-w

Liu F.; Mailhot O.; Glenn I. S.; Vigneron S. F.; Bassim V.; Xu X.; Fonseca-Valencia K.; Smith M. S.; Radchenko D. S.; Fraser J. S.; Moroz Y. S.; Irwin J. J.; Shoichet B. K.

Substituted piperidine challenge

Anal. Bioanal. Chem. 2025, 417 (1), 1-3

DOI: 10.1007/s00216-024-05609-x

Kozytskyi A. V.; Tymoschuk V. V.

Pilot Screening of TREM1 Inhibitors in Cell-Based Reporter Assays Reflecting TREM1/DAP12 Receptor Assembly and Functionality

ACS Chem Neurosci 2025, 16 (1), 52–65

DOI: 10.1021/acschemneuro.4c00694

Filippova N.; Hromov R.; Shi J.; King P. H.; Nabors L. B.

The molecular features of non-peptidic nucleophilic substrates and acceptor proteins determine the efficiency of sortagging

RSC Chem. Biol. 2025, 6 (2), 295-306

DOI: 10.1039/d4cb00246f

Bondarchuk T.; Zhuravel E.; Shyshlyk O.; Debelyy M.; Pokholenko O.; Vaskiv D. et al.

3,3-Difluorooxetane – A Versatile Functional Group for Bioisosteric Replacements in Drug Discovery

Chemistry 2024, 30 (72), e202403277

DOI: 10.1002/chem.202403277

Liashuk O. S.; Fedinchyk A.; Melnykov K. P.; Herasymchuk M.; Alieksieieva D.; Lesyk D.; Bas Y. P.; Keda T. Y.; Yatsymyrskiy A. V.; Holota Y.; Borysko P.; Yarmolchuk V. S.; Grygorenko O. O.

Physicochemical and Biological Evaluation of gem-Difluorinated Saturated Oxygen Heterocycles as Bioisosteres for Drug Discovery

Chemistry 2025, 31 (10), e202404390

DOI: 10.1002/chem.202404390

Melnykov K. P.; Liashuk O. S.; Holovach S.; Shatnia V.; Horbenko A.; Lesyk D.; Melnyk V.; Skrypnik D.; Beshtynarska A.; Borysko P.; Viniichuk O.; Grygorenko O. O.

Multigram Synthesis of 3,3-Spiro-α-prolines

J. Org. Chem. 2024, 89 (24), 18159–18178

DOI: 10.1021/acs.joc.4c02019

Derkach N. O.; Levchenko K. V.; Iermolenko I. A.; Ostapchuk E. N.; Lega D. A.; Makhankova V. G.; Rozhenko A. B.; Volochnyuk D. M.; Ryabukhin S. V.

Proline Analogues in Drug Design: Current Trends and Future Prospects

J. Med. Chem. 2024, 67 (22), 20022-20055

DOI: 10.1021/acs.jmedchem.4c01987

Kubyshkin V.; Mykhailiuk P. K.

4-Azaspiro[2.3]hexane, an Overlooked Piperidine Isostere: Multigram Synthesis and Physicochemical and Structural Evaluation

J. Org. Chem. 2024, 89 (24), 18477–18486

DOI: 10.1021/acs.joc.4c02390

Galavskyy S.; Chernykh A.; Liashuk O.; Lesyk D.; Shishkina S. V.; Kliukovskyi D.; Volochnyuk D. M.; Ryabukhin S. V.; Grygorenko O. O.

CF3-Cyclobutanes: Synthesis, Properties, and Evaluation as a Unique tert-Butyl Group Analogue

JACS Au 2024, 4 (11), 4507-4517

DOI: 10.1021/jacsau.4c00864

Ahunovych V.; Klipkov A. A.; Bugera M.; Tarasenko K.; Trofymchuk S.; Razhyk B.; Boretskyi A.; Stanko O.; Panasiuk Y.; Shablykin O.; Al-Maali G.; Lesyk D.; Klymenko-Ulianov O.; Horbatok K.; Bodenchuk I.; Kosach V.; Borysko P.; Kubyshkin V.; Mykhailiuk P. K.

An engineered cereblon optimized for high throughput screening and molecular glue discovery

Cell. Chem. Bio. 2025, 32 (2), 363-376

DOI: 10.1016/j.chembiol.2024.11.002

Bailey H. J.; Eisert J.; Kazi R.; Gerhartz J.; Pienkowska D. E.; Dressel I.; Vollrath J.; Kondratov I.; Matviyuk T.; Tolmachova N.; Shah V. J.; Giuliani G.; Mosler T.; Geiger T. M.; Esteves A. M.; Santos S. P.; Sousa R. L.; Bandeiras T. M.; Leibrock E. M.; Bauer U.; Leuthner B.; Langer J. D.; Wegener A. A.; Nowak R. P.; Sorrell F. J.; Dikic I.

Divergent Synthesis of Novel 3(5)-Aminoazole–Benzopyrone Hybrids and their Evaluation as α-Glucosidase Inhibitors

ChemMedChem 2024, 20 (5), e202400525

DOI: 10.1002/cmdc.202400525

Myshko A. S.; Mrug G. P.; Bondarenko S. P.; Demydchuk B. A.; Kobzar O. L.; Buldenko V. M.; Vovk A. I.; Frasinyuk M. S.

Immunofluorescent detection of protein CoAlation in mammalian cells under oxidative stress

Biol Open 2024, 13 (10), bio.061685

DOI: 10.1242/bio.061685

Malanchuk O.; Khoruzhenko A.; Kosach V.; Bdzhola A.; Bidiuk D.; Brett C.; Gout I.; Filonenko V.

Synthesis, structures and Hirshfeld surface analyses of 2-hy­dr­oxy-N′-methyl­acetohydrazide and 2-hy­dr­oxy-N-methyl­acetohydrazide

Acta Cryst. E 2024, 80 (Pt 11), 1170-1174

DOI: 10.1107/S2056989024009526

Vashchenko O. V.; Khomenko D. M.; Dyakonenko V. V.; Lampeka R. D.

Strain-Release-Driven Modular Synthesis of Oxetane-Based Amide Bioisosteres: Concise, Robust and Scalable Approach

Angew. Chem. Int. Ed. 2024, 63 (42), e202410554

DOI: 10.1002/anie.202410554

Spranitz P.; Soregi P.; Hegedus K.; Igriczi B.; Szakacs G.; Jemnitz K.; Szabo P.; Galushchak Y.; Mykhailiuk P. K.; Soos T.

4-Trifluoromethoxy proline: synthesis of stereoisomers and lipophilicity study

Org. Biomol. Chem. 2024, 22 (39), 7982-7988

DOI: 10.1039/d4ob00688g

Logvinenko I. G.; Sadkova I. V.; Tolmachova N. A.; Shishkina S. V.; Daniliuc C. G.; Haufe G.; Kondratov I. S.

Large library docking identifies positive allosteric modulators of the calcium-sensing receptor

Science 2024, 385 (6715), eado1868

DOI: 10.1126/science.ado1868

Liu F.; Wu C. G.; Tu C. L.; Glenn I.; Meyerowitz J.; Kaplan A. L.; Lyu J.; Cheng Z.; Tarkhanova O. O.; Moroz Y. S.; Irwin J. J.; Chang W.; Shoichet B. K.; Skiniotis G.

Modular synthesis of cyclic β-difluoroamines

Chem Commun (Camb) 2024, 60 (60), 7701-7704

DOI: 10.1039/d4cc00640b

Charlesworth N. G.; Arunprasath D.; Graham M. A.; Argent S. P.; Datsenko O. P.; Mykhailiuk P. K.; Denton R. M.

Parallel Minisci Reaction of gem-Difluorocycloalkyl Building Blocks

ACS Org Inorg Au 2024, 4 (4), 424-431

DOI: 10.1021/acsorginorgau.4c00028

Holovach S.; Poroshyn I.; Melnykov K. P.; Liashuk O. S.; Pariiska O. O.; Kolotilov S. V.; Rozhenko A. B.;

Fluorinated building blocks in drug design: new pathways and targets

Beilstein J. Org. Chem. 2024, 16, 1375-1378

DOI: 10.1080/17568919.2024.2379229

Grygorenko O. O.; Melnykov K. P.

Generation of multimillion chemical space based on the parallel Groebke–Blackburn–Bienaymé reaction

Beilstein J. Org. Chem. 2024, 20, 1604–1613

DOI: 10.3762/bjoc.20.143

Govor, E. V., Naumchyk, V., Nestorak, I., Radchenko, D. S., Dudenko, D., Moroz, Y. S., Kachkovsky, O. D. and Grygorenko, O. O.

O,S,Se-containing Biginelli products based on cyclic beta-ketosulfone and their postfunctionalization

Beilstein J. Org. Chem. 2024, 20, 2143–2151

DOI: 10.3762/bjoc.20.184

Dil K. V.; Palchykov V. A.

Synthetic Amine Linkers for Efficient Sortagging

Bioconjug Chem 2024, 35 (8), 1172-1181

DOI: 10.1021/acs.bioconjchem.4c00143

Bondarchuk T.; Vaskiv D.; Zhuravel E.; Shyshlyk O.; Hrynyshyn Y.; Nedialko O.; Pokholenko O.; Pohribna A.; Kuchuk O.; Brovarets V.; Zozulya S.

Light-enabled scalable synthesis of bicyclo[1.1.1]pentane halides and their functionalizations

Nat Synth 2024, 3 (12), 1538-1549

DOI: 10.1038/s44160-024-00637-y

Ripenko V.; Sham V.; Levchenko V.; Holovchuk S.; Vysochyn D.; Klymov I.; Kyslyi D.; Veselovych S.; Zhersh S.; Dmytriv Y.; Tolmachev A.; Sadkova I.; Pishel I.; Horbatok K.; Kosach V.; Nikandrova Y.; Mykhailiuk P. K.

Crystal structure and Hirshfeld surface analysis of di-chlorido-[2-(3-cyclo-pentyl-1,2,4-triazol-5-yl-kN4)pyridine-kN]palladium(II) di-methyl-formamide monosolvate

Acta Crystallogr E Crystallogr Commun 2024, 80 (9), 956-960

DOI: 10.1107/S2056989024007801

Dyakonenko V. V.; Khomenko D. M.; Doroshchuk R. O.; Ivanova G. V.; Lampeka R. D.

Trapping of thermally generated ortho- and para-quinone methides by imidazoles and pyrazoles: a simple route to green synthesis of benzopyrone-azole hybrids and their evaluation as α-glucosidase inhibitors

RSC Adv 2024, 14, 27809-27815

DOI: 10.1039/d4ra05230g

Myshko A. S.; Mrug G. P.; Bondarenko S. P.; Kondratyuk K. M.; Kobzar O. L.; Buldenko V. M.; Kozytskiy A. V.; Vovk A. I.; Frasinyuk M. S.

The freedom space – a new set of commercially available molecules for hit discovery

Mol Inform 2024, 43 (12), e202400114

DOI: 10.1002/minf.202400114

Protopopov M. V.; Tararina V. V.; Bonachera F.; Dzyuba I. M.; Kapeliukha A.; Hlotov S.; Chuk O.; Marcou G.; Klimchuk O.; Horvath D.; Yeghyan E.; Savych O.; Tarkhanova O. O.; Varnek A.; Moroz Y. S.

Identification of readily available pseudo-natural products

RSC Med Chem 2024, 15 (8), 2709-2717

DOI: 10.1039/d4md00310a

Pahl A.; Grygorenko O. O.; Kondratov I. S.; Waldmann H.

3-Substituted 6-Azabicyclo[3.1.1]heptanes: Nonclassical Piperidine Isosteres for Drug Discovery

J. Org. Chem. 2024, 89 (15), 10440-10450

DOI: 10.1021/acs.joc.4c00326

Chernykh A. V.; Vashchenko B. V.; Shishkina S. V.; Volochnyuk D. M.; Grygorenko O. O.

Crystal structure of catena-poly[[methanoldioxidouranium(VI)]-μ-2-[5-(2-oxidophen­yl)-1H-1,2,4-triazol-3-yl]acetato-κ2O:O′]

Acta Cryst E: Crystallographic Communications 2024, 80 (Pt 8), 852-856

DOI: 10.1107/S2056989024006637

Vashchenko O. V.; Khomenko D. M.; Doroshchuk R. O.; Stoica A. C.; Vassilyeva O. Y.; Lampeka R. D.

Ugi bisamides based on pyrrolyl-β-chlorovinylaldehyde and their unusual transformations

Beilstein J. Org. Chem. 2024, 20, 1773-1784

DOI: 10.3762/bjoc.20.156

Tsygankov A. V.; Vereshchak V. O.; Savluk T. O.; Desenko S. M.; Ananieva V. V.; Buravov O. V.; Sakhno Y. I.; Shishkina S. V.; Chebanov V. A.

Evaluation of thiopyrano[2,3-d]thiazole derivatives as potential anticonvulsant agents

Arch Pharm (Weinheim) 2024, 357 (10), e2400357

DOI: 10.1002/ardp.202400357

Davydov E.; Hoidyk M.; Shtrygol S.; Karkhut A.; Polovkovych S.; Klyuchivska O.; Karpenko O.; Lesyk R.; Holota S.

Proline Analogues

Chem. Rev. 2024, 124 (13), 8130-8232

DOI: 10.1021/acs.chemrev.4c00007

Kubyshkin V.; Rubini M.

A C-Degron Structure-Based Approach for the Development of Ligands Targeting the E3 Ligase TRIM7

ACS Chem Biol 2024, 19 (7), 1638-1647

DOI: 10.1021/acschembio.4c00301

Munoz Sosa C. J.; Lenz C.; Hamann A.; Farges F.; Dopfer J.; Kramer A.; Cherkashyna V.; Tarnovskiy A.; Moroz Y. S.; Proschak E.; Nemec V.; Muller S.; Saxena K.; Knapp S.
 

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