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001-es BibID:	BIBFORM103846
035-os BibID:	(WOS)000860095400052 (Scopus)85139251192
Első szerző:	Bereczki Ilona (vegyész, antibiotikumkémikus)
Cím:	Semisynthetic teicoplanin derivatives with dual antimicrobial activity against SARS-CoV-2 and multiresistant bacteria / Ilona Bereczki, Vladimir Vimberg, Eszter Lőrincz, Henrietta Papp, Lajos Nagy, Sándor Kéki, Gyula Batta, Ana Mitrović, Janko Kos, Áron Zsigmond, István Hajdú, Zsolt Lőrincz, Dávid Bajusz, László Petri, Jan Hodek, Ferenc Jakab, György M. Keserű, Jan Weber, Lieve Naesens, Pál Herczegh, Anikó Borbás
Dátum:	2022
ISSN:	2045-2322
Megjegyzések:	Patients infected with SARS-CoV-2 risk co-infection with Gram-positive bacteria, which severely affects their prognosis. Antimicrobial drugs with dual antiviral and antibacterial activity would be very useful in this setting. Although glycopeptide antibiotics are well-known as strong antibacterial drugs, some of them are also active against RNA viruses like SARS-CoV-2. It has been shown that the antiviral and antibacterial efficacy can be enhanced by synthetic modifications. We here report the synthesis and biological evaluation of seven derivatives of teicoplanin bearing hydrophobic or superbasic side chain. All but one teicoplanin derivatives were effective in inhibiting SARS-CoV-2 replication in VeroE6 cells. One lipophilic and three perfluoroalkyl conjugates showed activity against SARS-CoV-2 in human Calu-3 cells and against HCoV-229E, an endemic human coronavirus, in HEL cells. Pseudovirus entry and enzyme inhibition assays established that the teicoplanin derivatives efficiently prevent the cathepsin-mediated endosomal entry of SARS-CoV-2, with some compounds inhibiting also the TMPRSS2-mediated surface entry route. The teicoplanin derivatives showed good to excellent activity against Gram-positive bacteria resistant to all approved glycopeptide antibiotics, due to their ability to dually bind to the bacterial membrane and cell-wall. To conclude, we identified three perfluoralkyl and one monoguanidine analog of teicoplanin as dual inhibitors of Gram-positive bacteria and SARS-CoV-2.
Tárgyszavak:	Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban folyóiratcikk teicoplanin SARS-CoV-2
Megjelenés:	Scientific Reports. - 12 : 1 (2022), p. 12-17. -
További szerzők:	Vimberg, Vladimir (1981-) (molekuláris biológus) Lőrincz Eszter Boglárka (1993-) (vegyész) Papp Henrietta (1983-) (vegyész) Nagy Lajos (1979-) (vegyész) Kéki Sándor (1964-) (polimer kémikus) Batta Gyula (1953-) (molekula-szerkezet kutató) Mitrović, Ana (1984-) (Biológus) Kos, Janko (1980-) (Biológus) Zsigmond Áron (1986-) (Biológus) Hajdu István (1981-) (vegyész) Lőrincz Zsolt (1979-) (Biológus) Bajusz Dávid (1984-) (Biológus) Petri László (1981-) (biológus) Hodek, Jan (molekuláris biológus) Jakab Ferenc (1977-2024) (biológus) Keserű György Miklós (1976-) (Biológus) Weber, Jan (molekuláris biológus) Naesens, Lieve (1977-) (biokémia, sejtbiológia, molekuláris biológia) Herczegh Pál (1947-) (vegyész, antibiotikumkémikus) Borbás Anikó (1965-) (vegyész)
Pályázati támogatás:	K132870 OTKA GINOP-2.3.4-15-2020-00008 GINOP
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001-es BibID:	BIBFORM072198
035-os BibID:	(WOS)000423429800003 (Scopus)85041371349
Első szerző:	Huber Anna
Cím:	New Antimicrobial Potential and Structural Properties of PAFB: A Cationic, Cysteine-Rich Protein from Penicillium chrysogenum Q176 / Anna Huber, Dorottya Hajdu, Doris Bratschun-Khan, Zoltán Gáspári, Mihayl Varbanov, Stéphanie Philippot, Ádám Fizil, András Czajlik, Zoltán Kele, Christoph Sonderegger, László Galgóczy, Andrea Bodor, Florentine Marx, Gyula Batta
Dátum:	2018
ISSN:	2045-2322
Megjegyzések:	Small, cysteine-rich and cationic proteins with antimicrobial activity are produced by diverse organisms of all kingdoms and represent promising molecules for drug development. The ancestor of all industrial penicillin producing strains, the ascomycete Penicillium chryosgenum Q176, secretes the extensively studied antifungal protein PAF. However, the genome of this strain harbours at least two more genes that code for other small, cysteine-rich and cationic proteins with potential antifungal activity. In this study, we characterized the pafB gene product that shows high similarity to PgAFP from P. chrysogenum R42C. Although abundant and timely regulated pafB gene transcripts were detected, we could not identify PAFB in the culture broth of P. chrysogenum Q176. Therefore, we applied a P. chrysogenum-based expression system to produce sufficient amounts of recombinant PAFB to address unanswered questions concerning the structure and antimicrobial function. Nuclear magnetic resonance (NMR)-based analyses revealed a compact [beta]-folded structure, comprising five [beta]-strands connected by four solvent exposed and flexible loops and an "abcabc" disulphide bond pattern. We identified PAFB as an inhibitor of growth of human pathogenic moulds and yeasts. Furthermore, we document for the first time an anti-viral activity for two members of the small, cysteine-rich and cationic protein group from ascomycetes.
Tárgyszavak:	Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban folyóiratcikk
Megjelenés:	Scientific Reports. - 8 : 1 (2018), p. 1751. -
További szerzők:	Hajdu Dorottya (1987-) (biológus) Bratschun-Khan, Doris Gáspári Zoltán Varbanov, Mihayl Philippot, Stéphanie Fizil Ádám (1988-) (biológus) Czajlik András (1975-) (gyógyszerész) Kele Zoltán Sonderegger, Christoph Galgóczy László (1950-) Bodor Andrea Marx, Florentine Batta Gyula (1953-) (molekula-szerkezet kutató)
Pályázati támogatás:	ANN 110821 OTKA GINOP-2.3.2-15-2016-00008 GINOP
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001-es BibID:	BIBFORM131098
Első szerző:	Jamali, Marzieh
Cím:	Green regioselective synthesis and theoretical insights into photo- and thermochromic spiro heterocycles: toward optical and thermal sensing applications / Marzieh Jamali, Ali R. Sardarian, Farideh Rezaei, Afshan Mohajeri, Mohammad M.Ghanbari, Gyula Batta
Dátum:	2025
ISSN:	2045-2322
Megjegyzések:	Building on the significant potential of pyrimidine-based molecules for optoelectronic applications, we designed and synthesized a new series of spiro[indoline-pyrido-pyrimidine] derivatives with excellent selectivity. These compounds exhibit novel photochromic and thermochromic properties, addressing the growing need for diagnostic agents with minimal side effects. The regioisomers were identified using 1D, 2D homonuclear and heteronuclear correlation NMR spectroscopy, along with X-ray crystallography. Dynamic 1 H NMR (DNMR) studies revealed that the major isomer (4 sa) is more stable than the minor isomer (4 sb). Optical, electrochemical, and structural analyses of compounds 4aa, 4ab, 4 sa, and 4sb demonstrated the feasibility of chemical reactions converting closed-ring structures to open-ring structures, resulting in notable optical properties due to ring opening. To validate the experimental data, density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations were conducted at the B3LYP/6-31G(d) level, offering insights into the electronic structure and absorption spectra. Additionally, Gibbs free energy (?G) calculations were performed to elucidate the proposed mechanism for open-ring compounds named 5 and 7. This work emphasizes employing the citric acid as a bio-organic catalyst in a green, multi-component domino reaction, underscoring its environmentally sustainable approach. These studies reveal the potential of these compounds for advanced optical and temperature sensing applications, aligning theoretical and experimental approaches to establish a robust foundation for future research.
Tárgyszavak:	Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban folyóiratcikk Spiro[indoline-pyrido-pyrimidine] Regioselective synthesis Photo and thermochromic compound Green multicomponent reaction Natural catalyst Density functional theory
Megjelenés:	Scientific Reports. - 15 : 1 (2025), p. 1-20. -
További szerzők:	Sardarian, Ali R. Rezaei, Farideh Mohajeri, Afshan Ghanbari, Mohammad M. Batta Gyula (1953-) (molekula-szerkezet kutató)
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