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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.

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

Angew Chem Int Ed Engl 2024, 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.

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

Mol Inform 2024, 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.

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 impact of Library Size and Scale of Testing on Virtual Screening

bioRxiv 2024, in print

DOI: 10.1101/2024.07.08.602536

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.

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

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

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.

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.

Stellane at the Forefront: Derivatization and Reactivity Studies of a Promising Saturated Bioisostere of ortho-Substituted Benzenes

Org. Lett. 2024, 26 (22), 4808-4812

DOI: 10.1021/acs.orglett.4c01645

Smyrnov O.; Melnykov K.; Pashenko O.; Volochnyuk D.; Ryabukhin S.

Copper-Mediated Cyanodifluoromethylation of (Hetero)aryl Iodides and Activated (Hetero)aryl Bromides with TMSCF2CN

J. Am. Chem. Soc. 2024, 146, 22, 15464–15472

DOI: 10.1021/jacs.4c03618

Nicolai J.; Fantoni T.; Butcher T.; Arlow S.; Ryabukhin S.; Volochnyuk D.; Hartwig J.

Toward a Chemical Constructor: A Lego-Like Approach for Formal α-Alkylation of Cyclic Ketones

J. Org. Chem. 2024, 89 (11), 8208-8219

DOI: 10.1021/acs.joc.3c02628

Frolov A.; Chuchvera Y.; Ostapchuk E.; Druzhenko T.; Volochnyuk D.; Ryabukhin S.

AlphaFold2 structures guide prospective ligand discovery

Science 2024, eadn6354

DOI: 10.1126/science.adn6354

Lyu J.; Kapolka N.; Gumpper R.; Alon A.; Wang L.; Jain M.; Barros-Alvarez X.; Sakamoto K.; Kim Y.; DiBerto J. et al.

Crystal structure of bis­­{2-[5-(3,4,5-tri­meth­oxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine}palladium(II) bis­­(tri­fluoro­acetate) tri­fluoro­acetic acid disolvate

Acta Cryst. E 2024, 80 (6), 567-571

DOI: 10.1107/S205698902400392X

Zakharchenko B.; Khomenko D.; Doroshchuk R.; Bargan A.; Vassilyeva O.; Lampeka R.

Unlocking Amides: A General Method for the Self-Immolative Release of Amide-Containing Molecules

Angew Chem Int Ed Engl 2024, 63 (18), e202402267

DOI: 10.1002/anie.202402267

Wharton T.; Crawshay-Williams F.; Schober T.; Floto R.; Spring D.

Rotational order–disorder and spin crossover behaviour in a neutral iron(II) complex based on asymmetrically substituted large planar ionogenic ligand

Dalton Trans 2024, in press

DOI: 10.1039/d4dt00368c

Seredyuk M.; Znovjyak K.; Valverde-Munoz F.; Munoz M.; Fritsky I.; Real J.

4-(Azolyl)-Benzamidines as a Novel Chemotype for ASIC1a Inhibitors

Int. J. Mol. Sci. 2024, 25 (7), 3584

DOI: 10.3390/ijms25073584

Platonov M.; Maximyuk O.; Rayevsky A.; Hurmach V.; Iegorova O.; Naumchyk V.; Bulgakov E. et al.

2-Oxabicyclo[2.1.1]hexanes: Synthesis, Properties, and Validation as Bioisosteres of ortho- and meta-Benzenes

Angew Chem Int Ed Engl 2024, e202319831

DOI: 10.1002/anie.202319831

Levterov V.; Panasiuk Y.; Shablykin O.; Stashkevych O.; Sahun K.; Rassokhin A.; Sadkova I. et al.

Functionalization of Alkenes with Difluoromethyl Nitrile Oxide to Access the Difluoromethylated Derivatives

Org. Lett. 2024, in press

DOI: 10.1021/acs.orglett.4c00431

Chalyk B.; Zginnyk O.; Khutorianskyi A.; Mykhailiuk P.

Polar Self-Organization of Ferroelectric Nematic-Liquid-Crystal Molecules on Atomically Flat Au(111) Surface

Phys Rev Lett 2024, 132 (9), 098101

DOI: 10.1103/PhysRevLett.132.098101

Marchenko A.; Kapitanchuk O.; Lopatina Y.; Nazarenko K.; Senenko A.; Katsonis N.; Nazarenko V.; Lavrentovich O.

Borylated cyclobutanes via thermal [2+2]-cycloaddition

Chem Sci 2024, 15 (9), 3249-3254

DOI: 10.1039/d3sc06600b

Prysiazhniuk K.; Polishchuk O.; Shulha S.; Gudzikevych K.; Datsenko O.; Kubyshkin V.; Mykhailiuk P.

Bicyclo[m.n.k]alkane Building Blocks as Promising Benzene and Cycloalkane Isosteres: Multigram Synthesis, Physicochemical and Structural Characterization

Chemistry 2024, 30 (12), e202303859

DOI: 10.1002/chem.202303859

Semeno V.; Vasylchenko V.; Fesun I.; Ruzhylo L.; Kipriianov M.; Melnykov K.; Skreminskyi A.; Iminov R.; Mykhailiuk P.; Vashchenko B.; Grygorenko O.

Spiropyran-Based Photoisomerizable α-Amino Acid for Membrane-Active Peptide Modification

Chemistry 2024, e202400066

DOI: 10.1002/chem.202400066

Hrebonkin A.; Afonin S.; Nikitjuka A.; Borysov O.; Leitis G.; Babii O.; Koniev S.; Lorig T.; Grage S.; Nick P.; Ulrich A.; Jirgensons A.; Komarov I.

SNAr or Sulfonylation? Chemoselective Amination of Halo(het)arene Sulfonyl Halides for Synthetic Applications and Ultralarge Compound Library Design

J. Org. Chem. 2024, (5), 3161–3183

DOI: 10.1021/acs.joc.3c02636

Naumchyk V.; Andriashvili V.; Radchenko D.; Dudenko D.; Moroz Y.; Tolmachev A.; Zhersh S.; Grygorenko O.

Photosensitization enables Pauson-Khand–type reactions with nitrenes

Science 2024, 383 (6682), 498-503

DOI: 10.1126/science.adm8095

Li F.; Zhu W. F.; Empel C.; Datsenko O.; Kumar A.; Xu Y.; Ehrler J.; Atodiresei I.; Knapp S.; Mykhailiuk P.; Proschak E.; Koenigs R.

Organocatalytic Decarboxylative Borylation of Cyclopropane N-Hydroxyphthalimide Esters

J. Org. Chem. 2024, 89, 4, 2771–2776

DOI: 10.1021/acs.joc.3c02247

Krokhmaliuk Y.; Kleban I.; Rassukana Y.; Grygorenko O.

(Diazomethyl)dimethylphosphine Oxide – A Diazoalkane Reagent for [3+2] Cycloadditions

Chemistry 2024, e202303972

DOI: 10.1002/chem.202303972

Slobodyanyuk E.; Tarasiuk I.; Pasichnyk T.; Volochnyuk D.; Sibgatulin D.; Grygorenko O.

[3+2] Cycloaddition of Alkynyl Boronates and in situ Generated Azomethine Ylide

Chemistry 2024, 30 (11), e202303504

DOI: 10.1002/chem.202303504

Liashuk O.; Ryzhov I.; Hryshchuk O.; Volovenko Y.; Grygorenko O.

In situ studies of reversible solid–gas reactions of ethylene responsive silver pyrazolates

Chem Sci 2024, 15 (6), 2019-2025

DOI: 10.1039/d3sc04182d

Dias H.; Parasar D.; Yakovenko A.; Stephens P.; Munoz-Castro A.; Vanga M.; Mykhailiuk P.; Slobodyanyuk E.

Nickel-Electrocatalytic Decarboxylative Arylation to Access Quaternary Centers

Angew. Chem. Int. Ed. 2024, e202314617

DOI: 10.1002/anie.202314617

Laudadio G.; Neigenfind P.; Peter A.; Rubel C.; Emmanuel M.; Oderinde M.; Ewing T.; Palkowitz M.; Sloane J.; Gillman K.; Ridge D. et al.

Synthesis and crystal structure of N1,N2-di­methyl­ethane­dihydrazide

Acta Crystallogr E Crystallogr Commun 2024, 80 (2), 148-151

DOI: 10.1107/S2056989024000239

Bibik Y.; Khomenko D.; Doroshchuk R.; Raspertova I.; Bargan A.; Lampeka R.

Advances and Challenges in Development of Transition Metal Catalysts for Heterogeneous Hydrogenation of Organic Compounds

Chem. Rec. 2024, 24 (2), e202300300

DOI: 10.1002/tcr.202300300

Ivanytsya M.; Subotin V.; Gavrilenko K.; Ryabukhin S.; Volochnyuk D.; Kolotilov S.

Bypassing Sulfonyl Halides: Synthesis of Sulfonamides from Other Sulfur-Containing Building Blocks

Chem. Rec. 2024, 24 (2), e202300258

DOI: 10.1002/tcr.202300258

Sosunovych B.; Vashchenko B.; Andriashvili V.; Grygorenko O.

Chemoselective Reactions of Functionalized Sulfonyl Halides

Chem. Rec. 2024, 24 (2), e202300256

DOI: 10.1002/tcr.202300256

Liashuk O.; Andriashvili V.; Tolmachev A.; Grygorenko O.

Developing a comprehensive solution aimed to disrupt LARS1/RagD protein-protein interaction

J. Biomol. Struct. Dyn. 2024, 42 (2), 747-758

DOI: 10.1080/07391102.2023.2194996

Raevsky A.; Kovalenko O.; Bulgakov E.; Sharifi M.; Volochnyuk D.; Tukalo M.

Chemistry in Ukraine

Chem. Rec. 2024, e202400008

DOI: 10.1002/tcr.202400008

Grygorenko O.; Lampeka R.; Chebanov V.; Kovalenko M.; Wuttke S.

Anticancer activity features of imidazole-based ionic liquids and lysosomotropic detergents: in silico and in vitro studies

Mol. Divers. 2024, in press

DOI: 10.1007/s11030-023-10779-4

Gryniukova A.; Borysko P.; Myziuk I.; Alieksieieva D.; Hodyna D.; Semenyuta I.; Kovalishyn V.; Metelytsia L.; Rogalsky S.; Tcherniuk S.

Spiro[3.3]heptane as a Saturated Benzene Bioisostere

Angew. Chem. Int. Ed. 2024, e202316557

DOI: 10.1002/anie.202316557

Prysiazhniuk K.; Datsenko O.; Polishchuk O.; Shulha S.; Shablykin O.; Nikandrova Y.; Horbatok K.; Bodenchuk I.; Borysko P.; Shepilov D.; Pishel I.; Kubyshkin V.; Mykhailiuk P.

Synthesis and crystal structure of a cadmium(II) coordination polymer based on 4,4′-(1H-1,2,4-triazole-3,5-di­yl)dibenzoate

Acta Crystallogr E Crystallogr Commun 2024, 80 (2), 128-132

DOI: 10.1107/S2056989024000185

Popovych A.; Tsymbal L.; Khomenko D.; Bargan A.; Lampeka Y.; Lampeka R.

When Yield Prediction Does Not Yield Prediction: An Overview of the Current Challenges

J. Chem. Inf. Model. 2024, 64 (1), 42-56

DOI: 10.1021/acs.jcim.3c01524

Voinarovska V.; Kabeshov M.; Dudenko D.; Genheden S.; Tetko I.

Crystal structure and Hirshfeld-surface analysis of di-aqua-bis-(5-methyl-1H-1,2,4-triazole-3-carboxyl-ato)copper(II)

Acta Crystallogr E Crystallogr Commun 2024, 80 (1), 54-57

DOI: 10.1107/S2056989023010770

Petrenko Y.; Vynohradov O.; Khomenko D.; Doroshchuk R.; Raspertova I.; Shova S.; Lampeka R.

Correction: When SF5 outplays CF3: effects of pentafluorosulfanyl decorated scorpionates on copper

Chem Sci 2024, 15 (3), 1159-1161

DOI: 10.1039/d3sc90243a

Noonikara-Poyil A.; Munoz-Castro A.; Boretskyi A.; Mykhailiuk P.; Dias H.

Small vs. Large Library Docking for Positive Allosteric Modulators of the Calcium Sensing Receptor

bioRxiv 2024, in press

DOI: 10.1101/2023.12.27.573448

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

AlphaFold2 structures template ligand discovery

bioRxiv 2024, in press

DOI: 10.1101/2023.12.20.572662

Lyu J.; Kapolka N.; Gumpper R.; Alon A.; Wang L.; Jain M..; Barros-Alvarez X.; Sakamoto K.; Kim Y.; DiBerto J.; Kim K.; Tummino T. et al.

1,2-Disubstituted bicyclo[2.1.1]hexanes as saturated bioisosteres of ortho-substituted benzene

Chem. Sci. 2023, 14 (48), 14092-14099

DOI: 10.1039/d3sc05121h

Denisenko A.; Garbuz P.; Makovetska Y.; Shablykin O.; Lesyk D.; Al-Maali G.; Korzh R.; Sadkova I.; Mykhailiuk P.

Docking for EP4R antagonists active against inflammatory pain

Nat. Commun. 2023, 14 (1), 8067

DOI: 10.1038/s41467-023-43506-6

Gahbauer S.; DeLeon C.; Braz J.; Craik V.; Kang H.; Wan X.; Huang X.; Billesbolle C.; Liu Y.; Che T.; Deshpande I.; Jewell M.; Fink E.; Kondratov I.; Moroz Y. et al.
 

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