TY - JOUR AU - Zhao, Jiawei AU - Elgeti, Matthias AU - O’Brien, Evan S. AU - Pápayné Sár, Cecília AU - EI Daibani, Amal AU - Heng, Jie AU - Sun, Xiaoou AU - White, Elizabeth AU - Che, Tao AU - Hubbell, Wayne L. AU - Kobilka, Brian K. AU - Chen, Chunlai TI - Ligand efficacy modulates conformational dynamics of the µ-opioid receptor JF - NATURE J2 - NATURE VL - 629 PY - 2024 IS - 8011 SP - 474 EP - 480 PG - 7 SN - 0028-0836 DO - 10.1038/s41586-024-07295-2 UR - https://m2.mtmt.hu/api/publication/34789190 ID - 34789190 N1 - * Megosztott szerzőség AB - 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 . LA - English DB - MTMT ER - TY - CONF AU - Kálai, Tamás AU - Zhassiya, Kazhygali AU - Pápayné Sár, Cecília AU - Gallyas, Ferenc AU - Buzási, Péter AU - Kocsis, Béla ED - Hagymási, Krisztina ED - Janda, Tibor ED - Pál, Magda ED - Poór, Péter ED - Szalai, Gabriella TI - Stabilis nitroxid szabad gyökökkel módosított kalkonok szintézise és biológiai vizsgálata T2 - A Magyar Szabadgyökkutató Társaság XII. Kongresszusa PB - Agrártudományi Kutatóközpont, Mezőgazdasági Intézet C1 - Martonvásár SN - 9786156203021 PY - 2023 SP - 32 EP - 32 PG - 1 UR - https://m2.mtmt.hu/api/publication/34131902 ID - 34131902 LA - English DB - MTMT ER - TY - JOUR AU - Kálai, Tamás AU - Isbera, Mostafa AU - Bognár, Balázs AU - Pápayné Sár, Cecília AU - Jekő, József AU - Hideg, Kálmán TI - Syntheses and utilizations of pyrroline and tetrahydropyridine nitroxide-based phosphonate esters, a phosphate ester and a bisphosphonate JF - PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS J2 - PHOSPHOR SULFUR SIL REL ELEM VL - 197 PY - 2022 IS - 5-6 SP - 498 EP - 501 PG - 4 SN - 1042-6507 DO - 10.1080/10426507.2021.1989685 UR - https://m2.mtmt.hu/api/publication/32467989 ID - 32467989 N1 - Faculty of Pharmacy, Institute of Organic and Medicinal Chemistry, University of Pécs, Pécs, Hungary Department of Chemistry, University of Nyíregyháza, Nyíregyháza, Hungary Export Date: 12 February 2025; Cited By: 1; Correspondence Address: T. Kálai; Faculty of Pharmacy, Institute of Organic and Medicinal Chemistry, University of Pécs, Pécs, Honvéd st. 1, H-7624, Hungary; email: tamas.kalai@aok.pte.hu; CODEN: PSSLE AB - 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. LA - English DB - MTMT ER - TY - JOUR AU - Bognár, Balázs AU - Lemli, Beáta AU - Kőrösi, László Tamás AU - Mohamed Ameen, Hiba Farooq AU - Derdák, Diána AU - Isbera, Mostafa AU - Preisz, Zsolt AU - Úr, Györgyi AU - Pápayné Sár, Cecília AU - Kunsági-Máté, Sándor AU - Kálai, Tamás TI - Szemelvények a PTE GyTK Szerves és Gyógyszerkémiai Intézetének újabb (2013-2021) kutatási eredményeiből JF - MAGYAR KÉMIAI FOLYÓIRAT - KÉMIAI KÖZLEMÉNYEK (1997-) J2 - MAGY KÉM FOLY KÉM KÖZL VL - 128 PY - 2022 IS - 2 SP - 68 EP - 78 PG - 11 SN - 1418-9933 DO - 10.24100/MKF.2022.02.68 UR - https://m2.mtmt.hu/api/publication/33090440 ID - 33090440 LA - Hungarian DB - MTMT ER - TY - JOUR AU - Isbera, Mostafa AU - Bognár, Balázs AU - Pápayné Sár, Cecília AU - Jekő, József AU - Kálai, Tamás TI - Kabachnik-Fields reactions with stable nitroxide free radicals JF - ARKIVOC J2 - ARKIVOC VL - 3 PY - 2022 SP - 186 EP - 196 PG - 11 SN - 1551-7012 DO - 10.24820/ark.5550190.p011.849 UR - https://m2.mtmt.hu/api/publication/33127965 ID - 33127965 N1 - Institute of Organic and Medicinal Chemistry, Faculty of Pharmacy, University of Pécs, Szigeti st. 12, Pécs, H-7624, Hungary Department of Chemistry, University of Nyíregyháza, Sóstói st. 31/B, Nyíregyháza, H-4440, Hungary János Szentágothai Research Center, University of Pécs, Ifjúság 20, Pécs, H-7624, Hungary Export Date: 12 February 2025; Cited By: 1; Correspondence Address: T. Kálai; Institute of Organic and Medicinal Chemistry, Faculty of Pharmacy, University of Pécs, Pécs, Szigeti st. 12, H-7624, Hungary; email: tamas.kalai@aok.pte.hu; CODEN: AGFUA AB - 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] LA - English DB - MTMT ER - TY - JOUR AU - Chumakova, Natalia A AU - Kálai, Tamás AU - Rebrikova, Anastasiya T AU - Pápayné Sár, Cecília AU - Kokorin, Alexander I TI - Novel Orientation-Sensitive Spin Probes for Graphene Oxide Membranes Study. JF - MEMBRANES (BASEL) J2 - MEMBRANES-BASEL VL - 12 PY - 2022 IS - 12 PG - 9 SN - 2077-0375 DO - 10.3390/membranes12121241 UR - https://m2.mtmt.hu/api/publication/33543495 ID - 33543495 AB - 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. LA - English DB - MTMT ER - TY - JOUR AU - Pápayné Sár, Cecília AU - Kálai, Tamás TI - Hideg Kálmán (1934-2018) élete és munkássága JF - MAGYAR KÉMIAI FOLYÓIRAT - KÉMIAI KÖZLEMÉNYEK (1997-) J2 - MAGY KÉM FOLY KÉM KÖZL VL - 128 PY - 2022 IS - 3-4 SP - 107 EP - 113 PG - 7 SN - 1418-9933 DO - 10.24100/MKF.2022.03-4.107 UR - https://m2.mtmt.hu/api/publication/33543573 ID - 33543573 LA - Hungarian DB - MTMT ER - TY - JOUR AU - Isbera, Mostafa AU - Bognár, Balázs AU - Pápayné Sár, Cecília AU - Jekő, József AU - Kálai, Tamás TI - Syntheses and utilizations of pyrroline-nitroxide- and tetrahydropyridine-nitroxide-based α-ketophosphonates, β-ketophosphonates, and a bisphosphonate JF - SYNTHETIC COMMUNICATIONS J2 - SYNTHETIC COMMUN VL - 51 PY - 2021 IS - 9 SP - 1353 EP - 1362 PG - 10 SN - 0039-7911 DO - 10.1080/00397911.2021.1880595 UR - https://m2.mtmt.hu/api/publication/31882350 ID - 31882350 N1 - Institute of Organic and Medicinal Chemistry, Medical School, University of Pécs, Pécs, Hungary Department of Chemistry, University of Nyíregyháza, Nyíregyháza, Hungary Szentágothai Research Centre, Pécs, Hungary Export Date: 12 February 2025; Cited By: 5; Correspondence Address: T. Kálai; Institute of Organic and Medicinal Chemistry, Medical School, University of Pécs, Pécs, H7624, Hungary; email: tamas.kalai@aok.pte.hu; CODEN: SYNCA AB - 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. LA - English DB - MTMT ER - TY - JOUR AU - Fliszár-Nyúl, Eszter AU - Faisal, Anna Zelma AU - Mohos, Violetta Karolina AU - Derdák, Diána AU - Lemli, Beáta AU - Kálai, Tamás AU - Pápayné Sár, Cecília AU - Zsidó, Balázs Zoltán AU - Hetényi, Csaba AU - Horváth, Ádám István AU - Helyes, Zsuzsanna AU - Deme, Ruth AU - Bogdán, Dóra AU - Czompa, Andrea AU - Mátyus, Péter AU - Poór, Miklós TI - Interaction of SZV 1287, a novel oxime analgesic drug candidate, and its metabolites with serum albumin JF - JOURNAL OF MOLECULAR LIQUIDS J2 - J MOL LIQ VL - 333 PY - 2021 PG - 10 SN - 0167-7322 DO - 10.1016/j.molliq.2021.115945 UR - https://m2.mtmt.hu/api/publication/31927621 ID - 31927621 N1 - Department of Pharmacology, Faculty of Pharmacy, University of Pécs, Szigeti út 12, Pécs, H-7624, Hungary Lab-on-a-Chip Research Group, János Szentágothai Research Centre, University of Pécs, Ifjúság útja 20, Pécs, H-7624, Hungary Institute of Organic and Medicinal Chemistry, Medical School, University of Pécs, Szigeti út 12, Pécs, H-7624, Hungary Green Chemistry Research Group, János Szentágothai Research Centre, University of Pécs, Ifjúság útja 20, Pécs, H-7624, Hungary Department of General and Physical Chemistry, Faculty of Sciences, University of Pécs, Ifjúság 6, Pécs, H-7624, Hungary Department of Pharmacology and Pharmacotherapy, Medical School, University of Pécs, Szigeti út 12, Pécs, H-7624, Hungary Molecular Pharmacology Research Group & Centre for Neuroscience, János Szentágothai Research Centre, University of Pécs, Ifjúság útja 20, Pécs, H-7624, Hungary PharmInVivo Ltd., Szondi György u. 10, Pécs, H-7629, Hungary Algonist Gmbh, 1030 Karl-Farkas-Gasse 22, Wien, Austria Department of Organic Chemistry, Faculty of Pharmacy, Semmelweis University, Hőgyes u. 7, Budapest, H-1092, Hungary Institute of Digital Health Sciences, Semmelweis University, Faculty of Health and Public Services, Ferenc tér 15, Budapest, H-1094, Hungary E-Group Ict Software Zrt, Kacsa u. 11, Budapest, H-1027, Hungary Cited By :10 Export Date: 31 August 2023 CODEN: JMLID Correspondence Address: Poór, M.; Department of Pharmacology, Szigeti út 12, Hungary; email: poor.miklos@pte.hu AB - 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. LA - English DB - MTMT ER - TY - JOUR AU - Horváth, Ádám István AU - Szentes, Nikolett AU - Tékus, Valéria AU - Payrits, Maja AU - Szőke, Éva AU - Pótóné Oláh, Emőke AU - Garami, András AU - Fliszár-Nyúl, Eszter AU - Poór, Miklós AU - Pápayné Sár, Cecília AU - Kálai, Tamás AU - Pál, Szilárd AU - Percze, Krisztina AU - Nagyné Scholz, Éva AU - Mészáros, Tamás AU - Tóth, Blanka AU - Mátyus, Péter AU - Helyes, Zsuzsanna TI - 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 JF - BIOMEDICINES J2 - BIOMEDICINES VL - 9 PY - 2021 IS - 7 PG - 18 SN - 2227-9059 DO - 10.3390/biomedicines9070749 UR - https://m2.mtmt.hu/api/publication/32084429 ID - 32084429 LA - English DB - MTMT ER -