Publications

Polymorphic transition due to grinding: the case of 3-[1-(tert-but­oxy­carbonyl)­azetidin-3-yl]-1,2-oxaz­ole-4-carb­oxy­lic acid

Acta Crystallogr. B: Struct. Sci. Cryst. Eng. Mater. 2022, 78, 510-519

DOI: 10.1107/S2052520622003900

Konovalova I.; Shaposhnyk A.; Baumer V.; Chalyk B.; Shishkina S.
Unexpected Isomerization of Oxetane-Carboxylic Acids

Org. Lett. 2022, 24, 26, 4722–4728

DOI: 10.1021/acs.orglett.2c01402

Chalyk B.; Grynyova A.; Filimonova K.; Rudenko T.; Dibchak D.; Mykhailiuk P.
Impact of Fluoroalkyl Substituents on Physicochemical Properties of Saturated Heterocyclic Amines

Chemistry 2022, e202201601

DOI: 10.1002/chem.202201601

Melnykov K.; Tavlui O.; Skreminskiy A.; Kuchkovska Y.; Grygorenko O.
Radical Complexes of Nickel(II)/Copper(II) and Redox Non-innocent MB-DIPY Ligands: Unusual Stability and Strong Near-Infrared Absorption at λmax ∼1300 nm

Chemistry 2022, e202201181

DOI: 10.1002/chem.202201181

Zatsikha Y.; Shamova L.; Shepit M.; Berry S.; Thomas F.; Herbert D.; van Lierop J.; Nemykin V.
Rapid synthetic approaches to libraries of diversified 1,2-dihydrochromeno[2,3-c]pyrrole-3,9-diones and 3-(2-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-ones

Mol. Divers. 2022, 26 (2), 1115-1128

DOI: 10.1007/s11030-021-10234-2

Vydzhak R.; Panchishin S.; Kachaeva M.; Pilyo S.; Moskvina V.; Shablykina O.; Kozytskiy A.; Brovarets V.
A Practical and Scalable Approach to Fluoro-Substituted Bicyclo[1.1.1]pentanes

Angew. Chem. Int. Ed. 2022, e202205103

DOI: 10.1002/anie.202205103

Bychek R.; Mykhailiuk P.
Polymorphic transition due to grinding: the case of 3-[1-(tert-butoxycarbonyl)azetidin-3-yl]-1,2-oxazole-4-carboxylic acid

Acta Cryst. 2022, 78, 510-519

DOI: 10.1107/S2052520622003900

Konovalova I.; Shaposhnyk A.; Baumer V.; Chalyk B.; Shishkina S.
Towards in vivo photomediated delivery of anticancer peptides: Insights from pharmacokinetic and -dynamic data

J. Photochem. Photobiol. B 2022, 233, 112479

DOI: 10.1016/j.jphotobiol.2022.112479

Komarov I.; Tolstanova G.; Kuznietsova H.; Dziubenko N.; Yanchuk P.; Shtanova L.; Veselsky S.; Garmanchuk L.; Khranovska N.; Gorbach O.; Dovbynchuk T.; Borysko P.; Babii O.; Schober T.; Ulrich A.; Afonin S.
Structure-based virtual screening and biological evaluation of novel inhibitors of mycobacterium Z-ring formation

J. Cell. Biochem. 2022, 123 (5), 852-862

DOI: 10.1002/jcb.30232

Rayevsky A., Samofalova D., Ishchenko L., Vygovska L., Mazur V., Labudzynskyi D., Borysov O., Spivak S., Ozheredov S., Bulgakov E., Stykhylias M., Blume Y., Karpov P.
Anionic amphiphilic calixarenes for peptide assembly and delivery

J. Colloid Interface Sci. 2022, 624, 270-278

DOI: 10.1016/j.jcis.2022.05.124

Rodik R.; Cherenok S.; Postupalenko V.; Oncul S.; Brusianska V.; Borysko P.; Kalchenko V.; Mely Y.; Klymchenko A.
A Close-up Look at the Chemical Space of Commercially Available Building Blocks for Medicinal Chemistry

J. Chem. Inf. Model. 2022, 62 (9), 2171-2185

DOI: 10.1021/acs.jcim.1c00811

Zabolotna Y.; Volochnyuk D.; Ryabukhin S.; Horvath D.; Gavrilenko K.; Marcou G.; Moroz Y.; Oksiuta O.; Varnek A.
SynthI: A New Open-Source Tool for Synthon-Based Library Design

J. Chem. Inf. Model. 2022, 62 (9), 2151-2163

DOI: 10.1021/acs.jcim.1c00754

Zabolotna Y.; Volochnyuk D.; Ryabukhin S.; Gavrylenko K.; Horvath D.; Klimchuk O.; Oksiuta O.; Marcou G.; Varnek A.
Synthesis of alpha-C-Stereochemically Pure Secondary Sulfonamides

J. Org. Chem. 2022, 87 (9), 6237-6246

DOI: 10.1021/acs.joc.2c00480

Andriashvili V.; Zhersh S.; Tolmachev A.; Grygorenko O.
One-pot parallel synthesis of 1,3,5-trisubstituted 1,2,4-triazoles

Mol. Divers. 2022, 26 (2), 993-1004

DOI: 10.1007/s11030-021-10218-2

Radchenko D.; Naumchyk V.; Dziuba I.; Kyrylchuk A.; Gubina K.; Moroz Y.; Grygorenko O.
Expanding the chemical space of 3(5)-functionalized 1,2,4-triazoles

Chem. Heterocycl. Compd. 2022, 58 (2-3), 116-128

DOI: 10.1007/s10593-022-03064-z

Khomenko D.; Doroshchuk R.; Ohorodnik Y.; Ivanova H.; Zakharchenko B.; Raspertova I.; Vaschenko O.; Dobrydnev A.; Grygorenko O.; Lampeka R.
A stereochemical journey around spirocyclic glutamic acid analogs

Org. Biomol. Chem. 2022, 20, 3183-3200

DOI: 10.1039/d2ob00146b

Chernykh A.; Chernykh A.; Radchenko D.; Chheda P.; Rusanov E.; Grygorenko O.; Spies M.; Volochnyuk D.; Komarov I.
Expanding the Repertoire of Low-Molecular-Weight Pentafluorosulfanyl-Substituted Scaffolds

ChemMedChem 2022, 17 (7), e202100641

DOI: 10.1002/cmdc.202100641

Jose A.; Guest D.; LeGay R.; Tizzard G.; Coles S.; Derveni M.; Wright E.; Marrison L.; Lee A.; Morris A.; Robinson M.; von Delft F.; Fearon D.; Koekemoer L.; Matviuk T.; Aimon A.; Schofield C.; MallavT.; London N.; Greenland B.; Bagley M.; Spencer J.
Fluorine-Containing Prolines: Synthetic Strategies, Applications, and Opportunities

J. Org. Chem. 2022, 87 (11), 6961-7005

DOI: 10.1021/acs.joc.1c02956

Mykhailiuk P.
Computationally driven discovery of SARS-CoV-2 Mpro inhibitors: from design to experimental validation

Chem. Sci. 2022, 13, 3674-3687

DOI: 10.1039/d1sc05892d

El Khoury L.; Jing Z.; Cuzzolin A.; Deplano A.; Loco D.; Sattarov B.; Hedin F.; Wendeborn S.; Ho C.; El AhdabvD.; Jaffrelot Inizan T.; Sturlese M.; Sosic A. etc.
Exploration of the Chemical Space of DNA-encoded Libraries

Mol Inform 2022, 41 (6), e2100289

DOI: 10.1002/minf.202100289

Pikalyova R.; Zabolotna Y.; Volochnyuk D.; Horvath D.; Marcou G.; Varnek A.
Reductive Recyclization of sp3-Enriched Functionalized Isoxazolines into α-Hydroxy Lactams

J. Org. Chem. 2022, 87, 2, 1001–1018

DOI: 10.1021/acs.joc.1c02301

Chalyk B.; Khutorianskyi A.; Vashchenko B.; Danyleiko K.; Grynyova A.; Osipova A.; Kozytskiy A.; Syniuchenko D.; Tsymbaliuk A.; Gavrilenko K.; Biitseva A.; Volochnyuk D.; Komarov I.; Grygorenko O.
Last of the gem-Difluorocycloalkanes 2: Synthesis of Fluorinated Cycloheptane Building Blocks

Eur. J. Org. Chem. 2021, 2021 (47), 6561-6569

DOI: 10.1002/ejoc.202001530

Herasymchuk M.; Melnykov K.; Yarmoliuk D.; Serhiichuk D.; Rotar V.; Pukhovoi T.; Kuchkovska Y.; Holovach S.; Volochnyuk D.; Ryabukhin S.; Grygorenko O.
Synthesis of spirocyclic β‐ and γ‐sultams by one‐pot reductive cyclization of cyanoalkylsulfonyl fluorides

Eur. J. Org. Chem. 2021, 2021 (47), 6530‑6540

DOI: 10.1002/ejoc.202000351

Stepannikova K.; Vashchenko B.; Grygorenko O.; Gorichko M.; Cherepakha A.; Moroz Y.; Volovenko Y.; Zhersh S.
Fluorenonophane chlorobenzene solvate: Molecular and crystal structures

Acta Cryst. 2021, 77, 1285-1288

DOI: 10.1107/S2056989021011865

Dyakonenko V.; Shishkina S.; Bogashchenko T.; Lyapunov A.; Kirichenko T.
Enamine Ltd.: The Science and Business of Organic Chemistry and Beyond

Eur. J. Org. Chem. 2021, 2021 (47), 6474-6477

DOI: 10.1002/ejoc.202101210

Grygorenko O.
Catalytic Hydrogenation of Substituted Quinolines on Co–Graphene Composites

Eur. J. Org. Chem. 2021, 2021 (47), 6616-6625

DOI: 10.1002/ejoc.202101311

Asaula V.; Buryanov V.; Solod B.; Tryus D.; Pariiska O.; Kotenko I.; Volovenko Y.; Volochnyuk D.; Ryabukhin S.; Kolotilov S.
Design, synthesis and in vitro antimicrobial activity of 6-(1H-benzimidazol-2-yl)-3,5-dimethyl-4-oxo-2-thio-3,4-dihy-drothieno[2,3-d]pyrimidines

Sci. Pharm. 2021, 89(4), 49

DOI: 10.3390/scipharm89040049

Vlasov S.; Vlasova O.; Severina H.; Krolenko K.; Borysov O.; Abu Sharkh A.; Vlasov V.; Georgiyants V.
Crystal structure and Hirshfeld surface analysis of di-μ-chlorido-bis[(acetonitrile-κN)chlorido(ethyl 5-methyl-1H-pyrazole-3-carboxylate-κ2N2,O)copper(II)]

Acta Cryst. 2021, 77 1153-1157

DOI: 10.1107/S2056989021010653

Vynohradov O.; Pavlenko V.; Kucheriv O.; Golenya I.; Petlovanyi D.; Shova S.
Highly efficient synthesis and NMR features of novel fused pyrimidothiazinium trihalogenides

J. Heterocycl. Chem. 2021, 59 (2), 329-340

DOI: 10.1002/jhet.4387

Onysko M.; Svalyavin O.; Slivka M.; Slivka M.; Baumer V.; Lendel V.
In silico mechanistic model of microtubule assembly inhibition by selective chromone derivatives

J. Mol. Struct. 2021, 1241, 130633

DOI: 10.1016/j.molstruc.2021.130633

Rayevsky A.; Sharifi M.; Samofalova D.; Demchuk O.; Karpov P.; Blume Y.
Emerging Building Blocks for Medicinal Chemistry: Recent Synthetic Advances

Eur. J. Org. Chem. 2021, 2021 (47), 6478-6510

DOI: 10.1002/ejoc.202100857

Grygorenko O.; Volochnyuk D.; Vashchenko B.
4-(N-Boc-amino)-1Н-1,2,3-triazolecarbothioamides in the synthesis of a new heterocyclic [1,2,3]triazolo[4,5-e][1,4]thiazepine system

Chem. Heterocycl. Compd. 2021, 57 (7-8), 841-847

DOI: 10.1007/s10593-021-02989-1

Syrota N.; Kemskiy S.; Bol’but A.; Chernobaev I.; Liavinets O.; Vovk M.
Bicyclic Pyrrolidines for Medicinal Chemistry via [3 + 2]-Cycloaddition

J. Org. Chem. 2021, 86 (19), 13289–13309

DOI: 10.1002/slct.202001243

Savych V.; Mykhalchuk V.; Melnychuk P.; Isakov A.; Savchuk T.; Timoshenko V.; Siry S.; Pavlenko S.; Kovalenko D.; Hryshchuk O.; Reznik V.; Chalyk B.; Yarmolchuk V.; Rusanov E.
Scalable Approach to Fluorinated Heterocycles with Sulfur Tetrafluoride (SF4)

J. Org. Chem. 2021, 86 (17), 12181–12198

DOI: 10.1021/acs.joc.1c01518

Trofymchuk S.; Bugera M.; Klipkov A.; Ahunovych V.; Razhyk B.; Semenov S.; Boretskyi A.; Tarasenko K.; Mykhailiuk P.
Fluorine-Labelled Spiro[3.3]heptane-Derived Building Blocks: Is Single Fluorine the Best?

Eur. J. Org. Chem. 2021, 2021 (35), 4897-4910

DOI: 10.1002/ejoc.202100804

Malashchuk A.; Chernykh A.; Dobrydnev A.; Grygorenko O.
Strained contacts with the cell membrane may influence ligand affinity to G protein coupled receptors: a case of free fatty acid receptor 1 agonists

J. Enzyme Inhib. Med. Chem. 2021, 36 (1), 1651-1658

DOI: 10.1080/14756366.2021.1955874

Lukin A.; Bakholdina A.; Chudinov M.; Onopchenko O.; Zhuravel E.; Zozulya S.; Gureev M.; Krasavin M.
Functional Effects In Silico Prediction for Androgen Receptor Ligand-Binding Domain Novel I836S Mutation

Life 2021, 11(7), 659

DOI: 10.3390/life11070659

Rayevsky A.; Sirokha D.; Samofalova D.; Lozhko D.; Gorodna O.; Prokopenko I.; Livshits L.
In Vivo Behavior of the Antibacterial Peptide Cyclo[RRRWFW], Explored Using a 3-Hydroxychromone-Derived Fluorescent Amino Acid

Front. Chem. 2021, 9

DOI: 10.3389/fchem.2021.688446

Afonin S.; Koniev S.; Préau L.; Takamiya M.; Strizhak A.; Babii O.; Hrebonkin A.; Pivovarenko V.; Dathe M.; le Noble F.; Rastegar S.; Strähle U.; Ulrich A.; Komarov I.
Ring-closure reactions of functionalized vinyl sulfonamides

Chem. Heterocycl. Compd. 2021, 57 (6), 630-632

DOI: 10.1007/s10593-021-02960-0

Dodrydnev A.; Omelian T.
Addition reaction of various azoles to perfluoromethyl vinyl ether

Chem. Heterocycl. Compd. 2021, 57 (6), 666-671

DOI: 10.1007/s10593-021-02965-9

Petko K.; Filatov A.
Large-Scale Synthesis and Modifications of Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acid (BCP)

J. Org. Chem. 2021, 86 (20), 14061–14068

DOI: 10.1021/acs.joc.1c00977

Ripenko V.; Vysochyn D.; Klymov I.; Zhersh S.; Mykhailiuk P.
Genetically-encoded discovery of proteolytically stable bicyclic inhibitors for morphogen NODAL

Chem Sci 2021, 12(28), 9694‑9703

DOI: 10.1039/d1sc01916c

Wong J. Y.; Mukherjee R.; Miao J.; Bilyk O.; Triana V.; Miskolzie M.; Henninot A.; Dwyer J.; Kharchenko S.; Iampolska A.; Volochnyuk D.; Lin Y.; Postovit L.; Derda R.
Third Generation Buchwald Precatalysts with XPhos and RuPhos: Multigram Scale Synthesis, Solvent-Dependent Isomerization of XPhos Pd G3 and Quality Control by 1H- and 31P-NMR Spectroscopy

Molecules 2021, 26(12), 3507

DOI: 10.3390/molecules26123507

Sotnik S.; Mishchenko A.; Rusanov E.; Kozytskiy A.; Gavrilenko K.; Ryabukhin S.; Volochnyuk D.; Kolotilov S.
Heteroaliphatic Dimethylphosphine Oxide Building Blocks: Synthesis and Physico-Chemical Properties

Eur. J. Org. Chem. 2021, 2021 (47), 6591‑6603

DOI: 10.1002/ejoc.202100581

Fedyk A.; Slobodyanyuk E.; Stotska O.; Vashchenko B.; Volochnyuk D.; Sibgatulin D.; Tolmachev A.; Grygorenko O.
Selective α-Methylation of Ketones

J. Org. Chem. 2021, 86 (11), 7333-7346

DOI: 10.1021/acs.joc.1c00148

Frolov A.; Ostapchuk E.; Pashenko A.; Chuchvera Y.; Rusanov E.; Volochnyuk D.; Ryabukhin S.
Modelling of an autonomous Nav1.5 channel system as a part of in silico pharmacology study

J. Mol. Model. 2021, 27 (6), 182

DOI: 10.1007/s00894-021-04799-w

Rayevsky A.; Samofalova D.; Maximyuk O.; Platonov M.; Hurmach V.; Ryabukhin S.; Volochnyuk D.
Efficient synthesis of seven-membered Aza-sultams: Heterofused amino-1,2,4-thiadiazepine dioxides

Tetrahedron 2021, 88, 132149

DOI: 10.1016/j.tet.2021.132149

Hys V.; Milokhov D.; Keda T.; Omelchenko I.; Konovalova I.; Shishkina S.; Volovenko Y.
Evaluation of anticonvulsant activity of dual COX-2/5-LOX inhibitor darbufelon and its novel analogues

Sci. Pharm. 2021, 89(2), 22

DOI: 10.3390/scipharm89020022

Mishchenko M.; Shtrygol’ S.; Lozynskyi A.; Khomyak S.; Novikov V.; Karpenko O.; Holota S.; Lesyk R.
Cu-Catalyzed Pyridine Synthesis via Oxidative Annulation of Cyclic Ketones with Propargylamine

J. Org. Chem. 2021, 86 (11), 7315-7325

DOI: 10.1021/acs.joc.0c03038

Sotnik S.; Subota A.; Kliuchynskyi A.; Yehorov D.; Lytvynenko A.; Rozhenko A.; Kolotilov S.; Ryabukhin S.; Volochnyuk D.
Functionalized 5-Amino-4-cyanoxazoles, their Hetero- and Macrocyclic Derivatives: Preparation and Synthetic Applications

Eur. J. Org. Chem. 2021, 2021 (47), 6511‑6523

DOI: 10.1002/ejoc.202100412

Merzhyievskyi D.; Shablykin O.; Shablykina O.; Kozytskiy A.; Rusanov E.; Moskvina V.; Brovarets V.

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