Erdélyi Group

Conformational Trajectory of the Molecular Chameleon Grazoprevir from Formulation to Target-Bound

Wieske, Lianne H. E.; Bu, Guanhong; Erdélyi, Máté; Kihlberg, Jan et al.

Part of Chemistry - A European Journal, 2026

• DOI for Conformational Trajectory of the Molecular Chameleon Grazoprevir from Formulation to Target-Bound
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Probing Weak Halogen Bonding in Aqueous Solution

Herbst, Manuel; Wu, Leyun; Woordes, Yannik T.; Peintner, Stefan et al.

Part of Journal of the American Chemical Society, p. 19331-19340, 2026

• DOI for Probing Weak Halogen Bonding in Aqueous Solution
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Flavonoids from the leaves of Monanthotaxis filipes modulate PCSK9 and LDLR

Mayeka, James G.; Atilaw, Yoseph; Shadrack, Daniel M.; Sarnyai, Farkas et al.

Part of Scientific African, 2025

• DOI for Flavonoids from the leaves of Monanthotaxis filipes modulate PCSK9 and LDLR
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Linker-Determined Folding and Hydrophobic Interactions Explain a Major Difference in PROTAC Cell Permeability

Poongavanam, Vasanthanathan; Peintner, Stefan; Abeje, Yordanos; Kölling, Florian et al.

Part of ACS Medicinal Chemistry Letters, p. 681-687, 2025

• DOI for Linker-Determined Folding and Hydrophobic Interactions Explain a Major Difference in PROTAC Cell Permeability
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Click chemistry-based bioconjugation of iron oxide nanoparticles

Asad, Shno; Ahl, David; Suárez-López, Yael del Carmen; Erdélyi, Máté et al.

Part of Small, 2025

• DOI for Click chemistry-based bioconjugation of iron oxide nanoparticles
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Non-Uniform Sampling for Quantitative NOESY

Darling, William T. P.; Hyberts, Sven G.; Erdélyi, Máté

Part of Magnetic Resonance in Chemistry, p. 495-507, 2025

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Hydrogen Bond-Induced Binding between Organofluorine and Protein via Fluorine Atoms: A Database Survey and Quantum Chemistry Calculation Study

Han, Zijian; Li, Jintian; Liao, Qingyi; Luo, Ruitong et al.

Part of Journal of Medicinal Chemistry, p. 14882-14894, 2025

• DOI for Hydrogen Bond-Induced Binding between Organofluorine and Protein via Fluorine Atoms: A Database Survey and Quantum Chemistry Calculation Study

Bioactive 2-arylbenzofuran and chalcone derivatives from Morus mesozygia Stapf

Matundura, Jackson Obegi; Mollel, Jackson T.; Miah, Masum; Said, Joanna et al.

Part of Fitoterapia, 2025

• DOI for Bioactive 2-arylbenzofuran and chalcone derivatives from Morus mesozygia Stapf
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A Base‐Mediated Rearrangement of the Benzylic 1,5‐Hexadipyridynyl Moiety

Remmerswaal, Wouter A.; Nguyen, Thai‐Tony; Han, Zijian; Krasovski Slobodian, Fedor et al.

Part of ChemPlusChem, 2025

• DOI for A Base‐Mediated Rearrangement of the Benzylic 1,5‐Hexadipyridynyl Moiety
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Dynamically chiral phosphonic acid-type metallo-β-lactamase inhibitors

Gulyás, Kinga; Zhou, Liping; Salamonsen, Daniel; Prester, Andreas et al.

Part of Communications Chemistry, 2025

• DOI for Dynamically chiral phosphonic acid-type metallo-β-lactamase inhibitors
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Exploring the chemical space of orally bioavailable PROTACs

Apprato, Giulia; Poongavanam, Vasanthanathan; Jimenez, Diego Garcia; Atilaw, Yoseph et al.

Part of Drug Discovery Today, 2024

• DOI for Exploring the chemical space of orally bioavailable PROTACs
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Bioactive abietenolide diterpenes from Suregada procera

Matundura, Jackson Obegi; Mollel, Jackson T.; Miah, Masum; Said, Joanna et al.

Part of Fitoterapia, 2024

• DOI for Bioactive abietenolide diterpenes from Suregada procera
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Antimicrobial Dihydroflavonols and Isoflavans Isolated from the Root Bark of Dalbergia gloveri

Kiganda, Ivan; Wieske, Lianne H. E.; Nchiozem-Ngnitedem, Vaderament-Alexe; Chalo, Duncan et al.

Part of Journal of Natural Products, p. 2263-2271, 2024

• DOI for Antimicrobial Dihydroflavonols and Isoflavans Isolated from the Root Bark of Dalbergia gloveri
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Elucidating the Binding Mode of Sulfur- and Selenium-Based Cationic Chalcogen-Bond Donors

Akbaba, Sercan; Steinke, Tim; Vogel, Lukas; Engelage, Elric et al.

Part of Chemistry - A European Journal, 2024

• DOI for Elucidating the Binding Mode of Sulfur- and Selenium-Based Cationic Chalcogen-Bond Donors
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Antiviral Rotenoids and Isoflavones Isolated from Millettia oblata ssp. teitensis

Kiganda, Ivan; Bogaerts, Jonathan; Wieske, Lianne H.E.; Deyou, Tsegaye et al.

Part of Journal of Natural Products, p. 1003-1012, 2024

• DOI for Antiviral Rotenoids and Isoflavones Isolated from Millettia oblata ssp. teitensis
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The Influence of Disulfide, Thioacetal and Lanthionine-Bridges on the Conformation of a Macrocyclic Peptide

Darling, William T. P.; Wieske, Hermina H. E.; Cook, Declan T.; Aliev, Abil E. et al.

Part of Chemistry - A European Journal, 2024

• DOI for The Influence of Disulfide, Thioacetal and Lanthionine-Bridges on the Conformation of a Macrocyclic Peptide
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Taming Molecular Folding: Anion-Templated Foldamers with Tunable Quaternary Structures

John, Eric A.; Riel, Asia Marie S.; Wieske, Lianne H. E.; Ray, Debmalya et al.

Part of Journal of the American Chemical Society, p. 16419-16427, 2024

• DOI for Taming Molecular Folding: Anion-Templated Foldamers with Tunable Quaternary Structures

Fluorinated captopril analogues inhibit metallo-ll-lactamases and facilitate structure determination of NDM-1 binding pose

Kondratieva, Alexandra; Palica, Katarzyna; Frohlich, Christopher; Hovd, Rebekka Rolfsnes et al.

Part of European Journal of Medicinal Chemistry, 2024

• DOI for Fluorinated captopril analogues inhibit metallo-ll-lactamases and facilitate structure determination of NDM-1 binding pose
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Is Simultaneous Binding to DNA and Gyrase Important for the Antibacterial Activity of Cystobactamids?

Solga, Danny; Wieske, Hermina; Wilcox, Scott; Zeilinger, Carsten et al.

Part of Chemistry - A European Journal, 2024

• DOI for Is Simultaneous Binding to DNA and Gyrase Important for the Antibacterial Activity of Cystobactamids?
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Molecular chameleons in drug discovery

Poongavanam, Vasanthanathan; Wieske, Lianne H. E.; Peintner, Stefan; Erdélyi, Máté et al.

Part of Nature Reviews Chemistry, p. 45-60, 2024

• DOI for Molecular chameleons in drug discovery

Impact of Linker Composition on VHL PROTAC Cell Permeability

Abeje, Yordanos Esubalew; Wieske, Hermina H. E.; Poongavanam, Vasanthanathan; Maassen, Stefanie et al.

Part of Journal of Medicinal Chemistry, p. 638-657, 2024

• DOI for Impact of Linker Composition on VHL PROTAC Cell Permeability
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Unexpected effect of halogenation on the water solubility of small organic compounds

Zhang, Jianfang; Gulyás, Kinga Virág; Li, Jintian; Ma, Minfei et al.

Part of Computers in Biology and Medicine, 2024

• DOI for Unexpected effect of halogenation on the water solubility of small organic compounds

Crotofolane Diterpenoids and Other Constituents Isolated from Croton kilwae

Mahambo, Emanuel T.; Uwamariya, Colores; Miah, Masum; Clementino, Leandro da Costa et al.

Part of Journal of Natural Products, p. 380-389, 2023

• DOI for Crotofolane Diterpenoids and Other Constituents Isolated from Croton kilwae
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1-Phospha-Butadienes and 1H-Phospholes via Alkynylation of Acetylenic Phosphaalkenes

Shameem, Muhammad Anwar; Gupta, Arvind Kumar; Erdélyi, Máté; Orthaber, Andreas

Part of ChemPlusChem, 2023

• DOI for 1-Phospha-Butadienes and 1H-Phospholes via Alkynylation of Acetylenic Phosphaalkenes
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Benzo[b]naphtho[2,1-d]furans and 2-Phenylnaphthalenes from Streblus usambarensis

Chepkirui, Carolyne; Ali Adem, Fozia; Rudenko, Anastasia; Gütlin, Yukino et al.

Part of Journal of Natural Products, p. 1010-1018, 2023

• DOI for Benzo[b]naphtho[2,1-d]furans and 2-Phenylnaphthalenes from Streblus usambarensis
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Ensemble determination by NMR data deconvolution

Wieske, Lianne H. E.; Peintner, Stefan; Erdélyi, Máté

Part of Nature Reviews Chemistry, p. 511-524, 2023

• DOI for Ensemble determination by NMR data deconvolution

Macrocyclic Pyrrolizidine Alkaloids and Silphiperfolanol Angelate Esters from Solanecio mannii

Umereweneza, Daniel; Atilaw, Yoseph; Peintner, Stefan; Rudenko, Anastasia et al.

Part of European Journal of Organic Chemistry, 2023

• DOI for Macrocyclic Pyrrolizidine Alkaloids and Silphiperfolanol Angelate Esters from Solanecio mannii
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Going Viral: An Investigation into the Chameleonic Behaviour of Antiviral Compounds

Wieske, Lianne H. E.; Atilaw, Yoseph; Poongavanam, Vasanthanathan; Erdélyi, Máté et al.

Part of Chemistry - A European Journal, 2023

• DOI for Going Viral: An Investigation into the Chameleonic Behaviour of Antiviral Compounds
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Do non-coordinating polymers function as host materials for solid polymer electrolytes?: The case of PVdF-HFP

Hernández, Guiomar; Lee, Tian Khoon; Erdélyi, Máté; Brandell, Daniel et al.

Part of Journal of Materials Chemistry A, p. 15329-15335, 2023

• DOI for Do non-coordinating polymers function as host materials for solid polymer electrolytes?: The case of PVdF-HFP
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α-Aminophosphonate inhibitors of metallo-β-lactamases NDM-1 and VIM-2

Palica, Katarzyna; Deufel, Fritz; Skagseth, Susann; Di Santo Metzler, Gabriela Paula et al.

Part of RSC Medicinal Chemistry, p. 2277-2300, 2023

• DOI for α-Aminophosphonate inhibitors of metallo-β-lactamases NDM-1 and VIM-2
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Halogen Bonds of Halogen(I) Ions: Where Are We and Where to Go?

Wieske, Lianne H. E.; Erdélyi, Máté

Part of Journal of the American Chemical Society, p. 3-18, 2023

• DOI for Halogen Bonds of Halogen(I) Ions: Where Are We and Where to Go?
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Modified ent-Abietane Diterpenoids from the Leaves of Suregada zanzibariensis

Kalenga, Thobias M.; Mollel, Jackson T.; Said, Joanna; Orthaber, Andreas et al.

Part of Journal of Natural Products, p. 2135-2141, 2022

• DOI for Modified ent-Abietane Diterpenoids from the Leaves of Suregada zanzibariensis
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Pushing the Limits of Characterising a Weak Halogen Bond in Solution

Peintner, Stefan; Erdélyi, Máté

Part of Chemistry - A European Journal, 2022

• DOI for Pushing the Limits of Characterising a Weak Halogen Bond in Solution
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Polyoxygenated cyclohexene derivatives and flavonoids from the leaves of Uvaria pandensis

Maeda, Gasper; Gilissen, Pieter J.; Bourgard, Catarina; van der Wal, Jelle et al.

Part of Fitoterapia, 2022

• DOI for Polyoxygenated cyclohexene derivatives and flavonoids from the leaves of Uvaria pandensis

A new β-hydroxydihydrochalcone from Tephrosia uniflora, and the revision of three β-hydroxydihydrochalcones to flavanones

Chepkirui, Carolyne; Bourgard, Catarina; Gilissen, Pieter J.; Ndakala, Albert et al.

Part of Fitoterapia, 2022

• DOI for A new β-hydroxydihydrochalcone from Tephrosia uniflora, and the revision of three β-hydroxydihydrochalcones to flavanones
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Halogen Bond Activation in Gold Catalysis

Jónsson, Helgi Freyr; Sethio, Daniel; Wolf, Julian; Huber, Stefan M. et al.

Part of ACS Catalysis, p. 7210-7220, 2022

• DOI for Halogen Bond Activation in Gold Catalysis
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Do 2-coordinate iodine(i) and silver(i) complexes form nucleophilic iodonium interactions (NIIs) in solution?

Wilcox, Scott; Sethio, Daniel; Ward, Jas S.; Frontera, Antonio et al.

Part of Chemical Communications, p. 4977-4980, 2022

• DOI for Do 2-coordinate iodine(i) and silver(i) complexes form nucleophilic iodonium interactions (NIIs) in solution?

Synthesis, characterization and computational evaluation of bicyclooctadienes towards molecular solar thermal energy storage

Quant, Maria; Hillers-Bendtsen, Andreas Erbs; Ghasemi, Shima; Erdélyi, Máté et al.

Part of Chemical Science, p. 834-841, 2022

• DOI for Synthesis, characterization and computational evaluation of bicyclooctadienes towards molecular solar thermal energy storage
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Metallo-β-Lactamase Inhibitor Phosphonamidate Monoesters

Palica, Katarzyna; Vorácová, Manuela; Skagseth, Susann; Andersson Rasmussen, Anna et al.

Part of ACS Omega, p. 4550-4562, 2022

• DOI for Metallo-β-Lactamase Inhibitor Phosphonamidate Monoesters
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Linker-Dependent Folding Rationalizes PROTAC Cell Permeability

Poongavanam, Vasanthanathan; Atilaw, Yoseph; Siegel, Stephan; Giese, Anja et al.

Part of Journal of Medicinal Chemistry, p. 13029-13040, 2022

• DOI for Linker-Dependent Folding Rationalizes PROTAC Cell Permeability
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Antiplasmodial and antileishmanial flavonoids from Mundulea sericea

Chepkirui, Carolyne; Ochieng, Purity J; Sarkar, Biswajyoti; Hussain, Aabid et al.

Part of Fitoterapia (Milano), 2021

• DOI for Antiplasmodial and antileishmanial flavonoids from Mundulea sericea
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Sulfur Oxidation Increases the Rate of HIRE-Type [1.4]Thiazepinone Ring Expansion and Influences the Conformation of a Medium-Sized Heterocyclic Scaffold

Reutskaya, Elena; Sapegin, Alexander; Peintner, Stefan; Erdélyi, Máté et al.

Part of Journal of Organic Chemistry, p. 5778-5791, 2021

• DOI for Sulfur Oxidation Increases the Rate of HIRE-Type [1.4]Thiazepinone Ring Expansion and Influences the Conformation of a Medium-Sized Heterocyclic Scaffold

Antibacterial and cytotoxic biflavonoids from the root bark of Ochna kirkii

Kalenga, Thobias M.; Ndoile, Monica M.; Atilaw, Yoseph; Munissi, Joan J. E. et al.

Part of Fitoterapia, 2021

• DOI for Antibacterial and cytotoxic biflavonoids from the root bark of Ochna kirkii
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Probing Halogen Bonds by Scalar Couplings

Jimmink, Bono; Sethio, Daniel; Turunen, Lotta; von der Heiden, Daniel et al.

Part of Journal of the American Chemical Society, p. 10695-10699, 2021

• DOI for Probing Halogen Bonds by Scalar Couplings
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Halogen Bonding: An Odd Chemistry?

Turunen, Lotta; Hansen, Jørn H; Erdélyi, Máté

Part of The chemical record, p. 1252-1257, 2021

• DOI for Halogen Bonding: An Odd Chemistry?
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Halogen Bonds of Iodonium Ions: A World Dissimilar to Silver Coordination

Turunen, Lotta; Boróka Németh, Flóra; Decato, Daniel A.; Pápai, Imre et al.

Part of Bulletin of the Chemical Society of Japan, p. 191-196, 2021

• DOI for Halogen Bonds of Iodonium Ions: A World Dissimilar to Silver Coordination

Antibacterial and cytotoxic prenylated dihydrochalcones from Eriosema montanum

Umereweneza, Daniel; Atilaw, Yoseph; Rudenko, Anastasia; Gütlin, Yukino et al.

Part of Fitoterapia (Milano), 2021

• DOI for Antibacterial and cytotoxic prenylated dihydrochalcones from Eriosema montanum
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Solution-State Preorganization of Cyclic β-Hairpin Ligands Determines Binding Mechanism and Affinities for MDM2

Ge, Yunhui; Zhang, Si; Erdélyi, Máté; Voelz, Vincent A

Part of Journal of Chemical Information and Modeling, p. 2353-2367, 2021

• DOI for Solution-State Preorganization of Cyclic β-Hairpin Ligands Determines Binding Mechanism and Affinities for MDM2

P,N-Chelated Gold(III) Complexes: Structure and Reactivity

Reiersolmoen, Ann Christin; Battaglia, Stefano; Orthaber, Andreas; Lindh, Roland et al.

Part of Inorganic Chemistry, p. 2847-2855, 2021

• DOI for P,N-Chelated Gold(III) Complexes: Structure and Reactivity
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Oxygenated Cyclohexene Derivatives from the Stem and Root Barks of Uvaria pandensis

Maeda, Gasper; Gilissen, Pieter J.; Rudenko, Anastasia; van der Wal, Jelle et al.

Part of Journal of Natural Products, p. 3080-3089, 2021

• DOI for Oxygenated Cyclohexene Derivatives from the Stem and Root Barks of Uvaria pandensis
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