@article{MTMT:34718013,
	title = {Boronic acid inhibitors of penicillin-binding protein 1b: serine and lysine labelling agents},
	url = {https://m2.mtmt.hu/api/publication/34718013},
	author = {Kollár, Levente and Grabrijan, Katarina and Hrast Rambaher, Martina and Bozovičar, Krištof and Imre, Tímea and Ferenczy, György and Gobec, Stanislav and Keserű, György Miklós},
	doi = {10.1080/14756366.2024.2305833},
	journal-iso = {J ENZYM INHIB MED CH},
	journal = {JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY},
	volume = {39},
	unique-id = {34718013},
	issn = {1475-6366},
	year = {2024},
	eissn = {1475-6374},
	orcid-numbers = {Ferenczy, György/0000-0002-5771-4616}
}

@article{MTMT:34223252,
	title = {Molecular Mechanism of Labelling Functional Cysteines by Heterocyclic Thiones},
	url = {https://m2.mtmt.hu/api/publication/34223252},
	author = {Mihalovits, Levente Márk and Kollár, Levente and Bajusz, Dávid and Knez, Damijan and Bozovičar, Krištof and Imre, Timea and Ferenczy, György and Gobec, Stanislav and Keserű, György Miklós},
	doi = {10.1002/cphc.202300596},
	journal-iso = {CHEMPHYSCHEM},
	journal = {CHEMPHYSCHEM: A EUROPEAN JOURNAL OF CHEMICAL PHYSICS AND PHYSICAL CHEMISTRY},
	volume = {25},
	unique-id = {34223252},
	issn = {1439-4235},
	abstract = {Heterocyclic thiones have recently been identified as reversible covalent warheads, consistent with their mild electrophilic nature. Little is known so far about their mechanism of action in labelling nucleophilic sidechains, especially cysteines. The vast number of tractable cysteines promotes a wide range of target proteins to examine; however, our focus was put on functional cysteines. We chose the main protease of SARS‐CoV‐2 harboring Cys145 at the active site that is a structurally characterized and clinically validated target of covalent inhibitors. We screened an in‐house, cysteine‐targeting covalent inhibitor library which resulted in several covalent fragment hits with benzoxazole, benzothiazole and benzimidazole cores. Thione derivatives and Michael acceptors were selected for further investigations with the objective of exploring the mechanism of inhibition of the thiones and using the thoroughly characterized Michael acceptors for benchmarking our studies. Classical and hybrid quantum mechanical/molecular mechanical (QM/MM) molecular dynamics simulations were carried out that revealed a new mechanism of covalent cysteine labelling by thione derivatives, which was supported by QM and free energy calculations and by a wide range of experimental results. Our study shows that the molecular recognition step plays a crucial role in the overall binding of both sets of molecules.},
	year = {2024},
	eissn = {1439-7641},
	orcid-numbers = {Mihalovits, Levente Márk/0000-0003-1022-3294; Bajusz, Dávid/0000-0003-4277-9481; Ferenczy, György/0000-0002-5771-4616}
}

@article{MTMT:34492242,
	title = {On-DNA Synthesis of Multisubstituted Indoles},
	url = {https://m2.mtmt.hu/api/publication/34492242},
	author = {Németh, András György and Kollár, Levente and Németh, K. and Schlosser, Gitta (Vácziné) and Minus, Annamária and Keserű, György Miklós},
	doi = {10.1021/acs.orglett.3c03602},
	journal-iso = {ORG LETT},
	journal = {ORGANIC LETTERS},
	volume = {26},
	unique-id = {34492242},
	issn = {1523-7060},
	abstract = {The increasing role of the DNA-encoded library technology in early phase drug discovery represents a significant demand for DNA-compatible synthetic methods for therapeutically relevant heterocycles. Herein, we report the first on-DNA synthesis of multisubstituted indoles via a cascade reaction of Sonogashira coupling and intramolecular ring closure. Further functionalization by Suzuki coupling at the third position exploits a diverse chemical space. The high fidelity of the method also enabled the construction of an indole-based mock library. © 2023 The Authors. Published by American Chemical Society.},
	year = {2024},
	eissn = {1523-7052},
	pages = {2517-2522},
	orcid-numbers = {Schlosser, Gitta (Vácziné)/0000-0002-7637-7133; Minus, Annamária/0009-0003-4199-3942}
}

@article{MTMT:32544488,
	title = {Fragment-Sized and Bidentate (Immuno)Proteasome Inhibitors Derived from Cysteine and Threonine Targeting Warheads},
	url = {https://m2.mtmt.hu/api/publication/32544488},
	author = {Kollár, Levente and Gobec, Martina and Proj, Matic and Smrdel, Lara and Knez, Damijan and Imre, Timea and Gömöry, Ágnes and Petri, László and Ábrányi-Balogh, Péter and Csányi, Dorottya and Ferenczy, György and Gobec, Stanislav and Sosič, Izidor and Keserű, György Miklós},
	doi = {10.3390/cells10123431},
	journal-iso = {CELLS-BASEL},
	journal = {CELLS},
	volume = {10},
	unique-id = {32544488},
	year = {2021},
	eissn = {2073-4409},
	orcid-numbers = {Kollár, Levente/0000-0001-9679-3735; Proj, Matic/0000-0003-4043-9686; Knez, Damijan/0000-0001-9917-1384; Gömöry, Ágnes/0000-0001-5216-0135; Ferenczy, György/0000-0002-5771-4616; Gobec, Stanislav/0000-0002-9678-3083; Sosič, Izidor/0000-0002-3370-4587}
}

@article{MTMT:32129052,
	title = {Virtual Screening and Biochemical Testing of Borocycles as Immunoproteasome Inhibitors},
	url = {https://m2.mtmt.hu/api/publication/32129052},
	author = {Kollár, Levente and Ferenczy, György and Proj, Matic and Gobec, Martina and Gobec, Stanislav and Sosič, Izidor and Keserű, György Miklós},
	doi = {10.3311/PPch.17202},
	journal-iso = {PERIOD POLYTECH CHEM ENG},
	journal = {PERIODICA POLYTECHNICA-CHEMICAL ENGINEERING},
	volume = {65},
	unique-id = {32129052},
	issn = {0324-5853},
	year = {2021},
	eissn = {1587-3765},
	pages = {292-298},
	orcid-numbers = {Ferenczy, György/0000-0002-5771-4616}
}

@article{MTMT:31984014,
	title = {Discovery of selective fragment-sized immunoproteasome inhibitors},
	url = {https://m2.mtmt.hu/api/publication/31984014},
	author = {Kollár, Levente and Gobec, Martina and Szilágyi, Bence and Proj, Matic and Knez, Damijan and Ábrányi-Balogh, Péter and Petri, László and Imre, Timea and Bajusz, Dávid and Ferenczy, György and Gobec, Stanislav and Keserű, György Miklós and Sosič, Izidor},
	doi = {10.1016/j.ejmech.2021.113455},
	journal-iso = {EUR J MED CHEM},
	journal = {EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY},
	volume = {219},
	unique-id = {31984014},
	issn = {0223-5234},
	year = {2021},
	eissn = {1768-3254},
	orcid-numbers = {Bajusz, Dávid/0000-0003-4277-9481; Ferenczy, György/0000-0002-5771-4616; Gobec, Stanislav/0000-0002-9678-3083}
}