Publications

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 M^pro 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. et al.

Synthon-based ligand discovery in virtual libraries of over 11 billion compounds

Nature 2022, 601 (7893), 452-459

DOI: 10.1038/s41586-021-04220-9

Sadybekov A.; Sadybekov A.; Liu Y.; Iliopoulos-Tsoutsouvas C.; Huang X.; Pickett J.; Houser B.; Patel N.; Tran N.; Tong F.; Zvonok N.; Jain M.; Savych O.; Radchenko D.; Nikas S.; Petasis N.; Moroz Y. et al.

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.

4-(Di-/Trifluoromethyl)-2-heterabicyclo[2.1.1]hexanes: Advanced Fluorinated Phenyl Isosteres and Proline analogues

Eur. J. Org. Chem. 2021, 2021 (47), 6580-6590

DOI: 10.1002/ejoc.202100414

Homon A.; Hryshchuk O.; Mykhailenko O.; Vashchenko B.; Melnykov K.; Michurin O.; Daniliuc C.; Gerus I.; Kovtunenko V.; Kondratov I.; Grygorenko O.

Multigram Synthesis of Advanced 6,6-Difluorospiro[3.3]heptane-derived Building Blocks

Eur. J. Org. Chem. 2021, 2021 (47), 6541-6550

DOI: 10.1002/ejoc.202000432

Olifir O.; Chernykh A.; Dobrydnev A.; Grygorenko O.; Moroz Y.; Voitenko Z.; Radchenko D.

Nature of Fast Relaxation Processes and Spectroscopy of a Membrane-Active Peptide Modified with Fluorescent Amino Acid Exhibiting Excited State Intramolecular Proton Transfer and Efficient Stimulated Emission

ACS Omega 2021, 6 (15), 10119–10128

DOI: 10.1021/acsomega.1c00193

Shaydyuk Y.; Bashmakova N.; Dmytruk A.; Kachkovsky O.; Koniev S.; Strizhak A.; Komarov I.; Belfield K.; Bondar M.; Babii O.

A Diversity-Oriented Approach to Large Libraries of Artificial Macrocycles

Eur. J. Org. Chem. 2021, 2021 (17), 2313-2330

DOI: 10.1002/ejoc.202100195

Kharchenko S.; Iampolska A.; Radchenko D.; Vashchenko B.; Voitenko Z.; Grygorenko O.

An alternative approach to the synthesis of [1,2,4]triazolo[1,5-a]pyridine-8-carbonitriles, their crystal structure, and DFT calculations

J. Heterocycl. Chem. 2021, 58 (6), 1278-1285

DOI: 10.1002/jhet.4256

Khomenko D.; Shokol T.; Doroshchuk R.; Starova V.; Raspertova I.; Shova S.; Lampeka R.; Volovenko Y.

A Beckmann rearrangement initiated by trifluoromethanesulfonic anhydride in the synthesis of compounds containing a new pyrazolo[3',4':5,6]pyrido[3,2-b]azepine heterocyclic system

Chem. Heterocycl. Compd. 2021, 57 (2), 199-206

DOI: 10.1007/s10593-021-02893-8

Yakovenko G.; Yagodkina-Yakovenko M.; Suykov S.; Vovk M.

A multi-pronged approach targeting SARS-CoV-2 proteins using ultra-large virtual screening

iScience 2021, 24 (2), 102021

DOI: 10.1016/j.isci.2020.102021

Gorgulla C.; Padmanabha Das K.; Leigh K.; Cespugli M.; Fischer P.; Wang Z.; Tesseyre G.; Pandita S.; Shnapir A.; Calderaio A.; Gechev M.; Rose A.; Lewis N.; et al.

Versatile Reactivity of Mn(II) Complexes in Reactions with N-Donor Heterocycles: Metamorphosis of Labile Homometallic Pivalates vs. Assembling of Endurable Heterometallic Acetates

Molecules 2021, 26 (4), 1021

DOI: 10.3390/molecules26041021

Polunin R.; Evstifeev I.; Cador O.; Golhen S.; Gavrilenko K.; Lytvynenko A.; Efimov N.; Minin V.; Bogomyakov A.; Ouahab L.; Kolotilov S.; Kiskin M.; Eremenko I.