@article{MTMT:34789190, title = {Ligand efficacy modulates conformational dynamics of the µ-opioid receptor}, url = {https://m2.mtmt.hu/api/publication/34789190}, author = {Zhao, Jiawei and Elgeti, Matthias and O’Brien, Evan S. and Pápayné Sár, Cecília and EI Daibani, Amal and Heng, Jie and Sun, Xiaoou and White, Elizabeth and Che, Tao and Hubbell, Wayne L. and Kobilka, Brian K. and Chen, Chunlai}, doi = {10.1038/s41586-024-07295-2}, journal-iso = {NATURE}, journal = {NATURE}, volume = {629}, unique-id = {34789190}, issn = {0028-0836}, abstract = {The µ-opioid receptor (µOR) is an important target for pain management 1 and molecular understanding of drug action on µOR will facilitate the development of better therapeutics. Here we show, using double electron–electron resonance and single-molecule fluorescence resonance energy transfer, how ligand-specific conformational changes of µOR translate into a broad range of intrinsic efficacies at the transducer level. We identify several conformations of the cytoplasmic face of the receptor that interconvert on different timescales, including a pre-activated conformation that is capable of G-protein binding, and a fully activated conformation that markedly reduces GDP affinity within the ternary complex. Interaction of β-arrestin-1 with the μOR core binding site appears less specific and occurs with much lower affinity than binding of G i .}, year = {2024}, eissn = {1476-4687}, pages = {474-480}, orcid-numbers = {Zhao, Jiawei/0000-0002-0582-2105; Elgeti, Matthias/0000-0002-0550-4852; Che, Tao/0000-0002-1620-3027; Kobilka, Brian K./0000-0001-5958-3990; Chen, Chunlai/0000-0002-0128-7766} } @CONFERENCE{MTMT:34131902, title = {Stabilis nitroxid szabad gyökökkel módosított kalkonok szintézise és biológiai vizsgálata}, url = {https://m2.mtmt.hu/api/publication/34131902}, author = {Kálai, Tamás and Zhassiya, Kazhygali and Pápayné Sár, Cecília and Gallyas, Ferenc and Buzási, Péter and Kocsis, Béla}, booktitle = {A Magyar Szabadgyökkutató Társaság XII. Kongresszusa}, unique-id = {34131902}, year = {2023}, pages = {32-32}, orcid-numbers = {Gallyas, Ferenc/0000-0002-1906-4333} } @article{MTMT:32467989, title = {Syntheses and utilizations of pyrroline and tetrahydropyridine nitroxide-based phosphonate esters, a phosphate ester and a bisphosphonate}, url = {https://m2.mtmt.hu/api/publication/32467989}, author = {Kálai, Tamás and Isbera, Mostafa and Bognár, Balázs and Pápayné Sár, Cecília and Jekő, József and Hideg, Kálmán}, doi = {10.1080/10426507.2021.1989685}, journal-iso = {PHOSPHOR SULFUR SIL REL ELEM}, journal = {PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS}, volume = {197}, unique-id = {32467989}, issn = {1042-6507}, abstract = {Five- and six-membered cyclic nitroxide-based allylic phosphonate esters, alpha-ketophosphonate esters were obtained from the corresponding paramagnetic allyl bromides and acyl chlorides respectively via the Arbuzov reactions. The alpha-hydroxyphosphonate esters were accessed by Pudovik reactions from the corresponding paramagnetic ketones and aldehydes. The beta-ketophosphonate esters were obtained from the appropriate 1-alkynylphosphonate esters via PdCl2-catalyzed hydration. The synthesis of an allylic phosphate ester and a paramagnetic geminal bisphosphonate was also reported.}, year = {2022}, eissn = {1563-5325}, pages = {498-501} } @article{MTMT:33090440, title = {Szemelvények a PTE GyTK Szerves és Gyógyszerkémiai Intézetének újabb (2013-2021) kutatási eredményeiből}, url = {https://m2.mtmt.hu/api/publication/33090440}, author = {Bognár, Balázs and Lemli, Beáta and Kőrösi, László Tamás and Mohamed Ameen, Hiba Farooq and Derdák, Diána and Isbera, Mostafa and Preisz, Zsolt and Úr, Györgyi and Pápayné Sár, Cecília and Kunsági-Máté, Sándor and Kálai, Tamás}, doi = {10.24100/MKF.2022.02.68}, journal-iso = {MAGY KÉM FOLY KÉM KÖZL}, journal = {MAGYAR KÉMIAI FOLYÓIRAT - KÉMIAI KÖZLEMÉNYEK (1997-)}, volume = {128}, unique-id = {33090440}, issn = {1418-9933}, year = {2022}, eissn = {1418-8600}, pages = {68-78}, orcid-numbers = {Lemli, Beáta/0000-0001-8903-1337} } @article{MTMT:33127965, title = {Kabachnik-Fields reactions with stable nitroxide free radicals}, url = {https://m2.mtmt.hu/api/publication/33127965}, author = {Isbera, Mostafa and Bognár, Balázs and Pápayné Sár, Cecília and Jekő, József and Kálai, Tamás}, doi = {10.24820/ark.5550190.p011.849}, journal-iso = {ARKIVOC}, journal = {ARKIVOC}, volume = {3}, unique-id = {33127965}, issn = {1551-7012}, abstract = {The Kabachnik-Fields reaction is a multicomponent reaction that provides alpha-aminophosphonates and phosphorus analogs of alpha-amino acids. While paramagnetic alpha- amino acids are well known, to the best of our knowledge, this is the first report on paramagnetic.-aminophosphonate syntheses. We present examples of nitroxide-containing.-aminophosphonates starting from five- and six-membered paramagnetic aldehydes, a paramagnetic ketone, and five- and six-membered paramagnetic amines. Starting from a beta-bromo-alpha,beta unsaturated aldehyde, we constructed a pyrroline-nitroxide-condensed heterocycle with a phosphonate ester substituent. [GRAPHICS]}, keywords = {HETEROCYCLES; NITROXIDES; Kabachnik-Fields reaction; T3P (R)}, year = {2022}, eissn = {1551-7004}, pages = {186-196} } @article{MTMT:33543495, title = {Novel Orientation-Sensitive Spin Probes for Graphene Oxide Membranes Study.}, url = {https://m2.mtmt.hu/api/publication/33543495}, author = {Chumakova, Natalia A and Kálai, Tamás and Rebrikova, Anastasiya T and Pápayné Sár, Cecília and Kokorin, Alexander I}, doi = {10.3390/membranes12121241}, journal-iso = {MEMBRANES-BASEL}, journal = {MEMBRANES (BASEL)}, volume = {12}, unique-id = {33543495}, abstract = {Spin probe EPR spectroscopy is currently the only method to quantitatively report on the orientational ordering of graphene oxide membranes. This technique is based on the analysis of EPR spectra of a membrane containing stable radicals sorbed on oxidized graphene planes. The efficiency of the method depends on the spin probe structure; therefore, it is important to find stable paramagnetic substances that are most sensitive to the alignment of graphene oxide membranes. In the present work, three novel stable nitroxide radicals containing aromatic fragments with two nitrogen atoms were tested as spin probes to study graphene oxide membranes. The spin-Hamiltonian parameters of the radicals in graphite oxide powder and orientational order parameters of the probes inside graphene oxide membrane were determined. The sensitivity of one of these radicals to membrane orientational ordering was found to be higher than for any of spin probes used previously. A likely reason for this higher sensitivity is the presence of heteroatoms which can facilitate interaction between paramagnetic molecules and oxygen-containing groups on the inner surface of the membrane. The new high-sensitivity spin probe may significantly increase the potential of EPR spectroscopy for studying the internal structure of graphene oxide membranes.}, keywords = {graphene oxide membrane; orientational ordering; spin probe technique}, year = {2022}, eissn = {2077-0375} } @article{MTMT:33543573, title = {Hideg Kálmán (1934-2018) élete és munkássága}, url = {https://m2.mtmt.hu/api/publication/33543573}, author = {Pápayné Sár, Cecília and Kálai, Tamás}, doi = {10.24100/MKF.2022.03-4.107}, journal-iso = {MAGY KÉM FOLY KÉM KÖZL}, journal = {MAGYAR KÉMIAI FOLYÓIRAT - KÉMIAI KÖZLEMÉNYEK (1997-)}, volume = {128}, unique-id = {33543573}, issn = {1418-9933}, year = {2022}, eissn = {1418-8600}, pages = {107-113} } @article{MTMT:31882350, title = {Syntheses and utilizations of pyrroline-nitroxide- and tetrahydropyridine-nitroxide-based α-ketophosphonates, β-ketophosphonates, and a bisphosphonate}, url = {https://m2.mtmt.hu/api/publication/31882350}, author = {Isbera, Mostafa and Bognár, Balázs and Pápayné Sár, Cecília and Jekő, József and Kálai, Tamás}, doi = {10.1080/00397911.2021.1880595}, journal-iso = {SYNTHETIC COMMUN}, journal = {SYNTHETIC COMMUNICATIONS}, volume = {51}, unique-id = {31882350}, issn = {0039-7911}, abstract = {Five- and six-membered cyclic nitroxides containing α-ketophosphonates were obtained from the corresponding paramagnetic acyl chlorides via the Arbuzov reaction, while those containing β-ketophosphonates were obtained from the appropriate 1-alkynylphosphonates via PdCl2-catalyzed hydration. These new paramagnetic phosphorus compounds proved to be useful reagents in C–C and C=C bond-forming reactions and in functional group transformation reactions, namely, reduction, phospha-Brook rearrangement, and Regitz diazo transfer reactions. The synthesis of a paramagnetic geminal bisphosphonate was also reported.}, year = {2021}, eissn = {1532-2432}, pages = {1353-1362}, orcid-numbers = {Isbera, Mostafa/0000-0001-8539-3023; Bognár, Balázs/0000-0001-6695-6839} } @article{MTMT:31927621, title = {Interaction of SZV 1287, a novel oxime analgesic drug candidate, and its metabolites with serum albumin}, url = {https://m2.mtmt.hu/api/publication/31927621}, author = {Fliszár-Nyúl, Eszter and Faisal, Anna Zelma and Mohos, Violetta Karolina and Derdák, Diána and Lemli, Beáta and Kálai, Tamás and Pápayné Sár, Cecília and Zsidó, Balázs Zoltán and Hetényi, Csaba and Horváth, Ádám István and Helyes, Zsuzsanna and Deme, Ruth and Bogdán, Dóra and Czompa, Andrea and Mátyus, Péter and Poór, Miklós}, doi = {10.1016/j.molliq.2021.115945}, journal-iso = {J MOL LIQ}, journal = {JOURNAL OF MOLECULAR LIQUIDS}, volume = {333}, unique-id = {31927621}, issn = {0167-7322}, abstract = {SZV 1287 is our novel multi-target analgesic, which seems to be a promising drug candidate for the treatment of neuropathic pain. Therefore, the drug development process has been started in 2016. Since the pharmacokinetic characterization of a drug candidate is essential and albumin binding of drugs can strongly affect their pharmacokinetic properties, herein we provided the detailed investigation and characterization of the interaction of SZV 1287 and its known metabolites with serum albumin. In a preliminary animal study, we demonstrated the appearance of SZV 1287, oxaprozin, L 2799, L 2805, and L 2811 in the circulation after the per os administration of the parent compound to rats. Then albumin-ligand interactions were examined employing fluorescence spectroscopy, affinity chromatography, ultrafiltration, ultracentrifugation, and molecular modeling. Finally, we tested the potential species dependent differences in the albumin binding of SZV 1287, employing human, bovine, porcine, and rat serum albumins. Our results demonstrated that SZV 1287 and its metabolites form highly stable complexes with albumin (Ka = 105 to 106 L/mol). Furthermore, SZV 1287 occupies Sudlow’s Site II on human serum albumin. Therefore, it is reasonable to hypothesize that SZV 1287-albumin interaction is an important issue regarding the pharmacokinetics of this drug candidate.}, year = {2021}, eissn = {1873-3166}, orcid-numbers = {Fliszár-Nyúl, Eszter/0000-0003-0923-0059; Mohos, Violetta Karolina/0000-0001-6248-060X; Lemli, Beáta/0000-0001-8903-1337; Deme, Ruth/0000-0002-0798-6912; Bogdán, Dóra/0000-0003-4455-8914; Czompa, Andrea/0000-0001-8442-8554; Mátyus, Péter/0000-0003-3963-9445} } @article{MTMT:32084429, title = {Proof-of-Concept for the Analgesic Effect and Thermoregulatory Safety of Orally Administered Multi-Target Compound SZV 1287 in Mice: A Novel Drug Candidate for Neuropathic Pain}, url = {https://m2.mtmt.hu/api/publication/32084429}, author = {Horváth, Ádám István and Szentes, Nikolett and Tékus, Valéria and Payrits, Maja and Szőke, Éva and Pótóné Oláh, Emőke and Garami, András and Fliszár-Nyúl, Eszter and Poór, Miklós and Pápayné Sár, Cecília and Kálai, Tamás and Pál, Szilárd and Percze, Krisztina and Nagyné Scholz, Éva and Mészáros, Tamás and Tóth, Blanka and Mátyus, Péter and Helyes, Zsuzsanna}, doi = {10.3390/biomedicines9070749}, journal-iso = {BIOMEDICINES}, journal = {BIOMEDICINES}, volume = {9}, unique-id = {32084429}, year = {2021}, eissn = {2227-9059}, orcid-numbers = {Garami, András/0000-0003-2493-0571; Fliszár-Nyúl, Eszter/0000-0003-0923-0059; Percze, Krisztina/0000-0002-4124-1893; Mészáros, Tamás/0000-0002-7396-9678; Mátyus, Péter/0000-0003-3963-9445} }