Laboratory for Medicinal Chemistry - recent publications

All our publications can be retrieved through the Rega Institute publications database or through Lirias, the KU Leuven digital repository. Below a list of recently published papers:

• Structure elucidation and quantification of the active pharmaceutical ingredient in a non-approved drug and in cat serum using QTRAP-MS/MS and ZenoTOF-MS/MS, Tu L, Horak J, Krentz D, Zwicklbauer K, Hartmann K, Lescrinier E, Alberer M, von Both U, Koletzko B, Journal Of Pharmaceutical And Biomedical Analysis; 2025; Vol. 265, doi: 10.1016/j.jpba.2025.116995
• Discovery and SAR exploration of novel nanomolar 3,4-dihydroquinazolin-2(1H)-one non-nucleoside reverse transcriptase inhibitors, Goffin E, Torfs L, Tsingis F, Svestka D, Erven K, Uyttersprot K, Heens C, Wilms S, Rozenski J, Lescrinier E, Pannecouque C, Verwilst P, European Journal Of Medicinal Chemistry; 2025; Vol. 296, doi: 10.1016/j.ejmech.2025.117818
• Investigating the structure-activity-relationship of diaryl ether-based paFabV inhibitors: A path to novel antibacterials, Bulai R, Van Eynde W, Heylen S, Cremonini M, Van Olmen F, Wicik R, Lescrinier E, Rozenski J, Voet A, Masschelein J, Verwilst P, European Journal Of Medicinal Chemistry; 2025; Vol. 296, doi: 10.1016/j.ejmech.2025.117782
• Beyond CEN.PK - parallel engineering of selected S. cerevisiae strains reveals that superior chassis strains require different engineering approaches for limonene production, Zhu Y, Yogiswara S, Willekens A, Gérardin A, Lavigne R, Goossens A, Pinheiro V, Dai Z, Verstrepen k, Metabolic Engineering; 2025; Vol. 91; pp. 276 - 289, doi: 10.1016/j.ymben.2025.04.011
• Discovery and exploration of disubstituted [1,2,5]oxadiazolo-[3,4-b]pyrazines as novel C-C chemokine recept, Billen M, Reynders S, Claes S, Kleinboelting S, Rozenski J, Bulai R, Rocca E, Homer N, Webster S, Kaminski T, Lescrinier E, Schols D, Verwilst P, European Journal Of Medicinal Chemistry; 2025; Vol. 291, doi: 10.1016/j.ejmech.2025.117600
• Synthesis of Xylo-nucleoside H-Phosphinates and Insights into Their Conformational Preferences Within a Chimeric Duplex, Xu Y, Reynders S, Coosemans F, Herdewyn P, Groaz E, Lescrinier E, European Journal Of Organic Chemistry; 2025; Vol. 28; iss. 18, doi: 10.1002/ejoc.202500141
• The pucke.rs toolkit to facilitate sampling the conformational space of biomolecular monomers, Rihon J, Reynders S, Bernades Pinheiro V, Lescrinier E, Journal Of Cheminformatics; 2025; Vol. 17; iss. 1, doi: 10.1186/s13321-025-00977-7
• The long non-coding RNA ROSALIND protects the mitochondrial translational machinery from oxidative damage, Katopodi V, Marino A, Pateraki N, Verheyden Y, Cinque S, Jimenez E, Adnane S, Demesmaeker E, Scomparin A, Derua R, Groaz E, Leucci E, Cell Death And Differentiation; 2025; Vol. 32; iss. 3; pp. 397 - 415, doi: 10.1038/s41418-024-01377-4
• Discovery and SAR Exploration of Novel Nanomolar 3,4-dihydroquinazolin-2(1H)-one Non-Nucleoside Reverse Transcriptase Inhibitors, Goffin E, Torfs L, Švestka D, Erven K, Uyttersprot K, Heens C, Wilms S, Rozenski J, Lescrinier E, Pannecouque C, Verwilst P, ChemRxiv; 2025, doi: 10.26434/chemrxiv-2025-8l8jw
• A guanidine-based coronavirus replication inhibitor which targets the nsp15 endoribonuclease and selects for interferon-susceptible mutant viruses, Van Loy B, Pujol E, Kamata K, Lee X, Bakirtzoglou N, Van Berwaer R, Vandeput J, Mestdagh C, Persoons L, De Wijngaert B, Goovaerts Q, Noppen S, Jacquemyn M, Ahmadzadeh K, Bernaerts E, Martin-Lopez J, Escriche C, Vanmechelen B, Krasniqi B, Singh A, Daelemans D, Maes P, Matthys P, Dehaen W, Rozenski J, Das K, Voet A, Vazquez S, Naesens L, Stevaert A, Plos Pathogens; 2025; Vol. 21; iss. 2, doi: 10.1371/journal.ppat.1012571
• Molecular Modeling on Duplexes with Threose-Based TNA and TPhoNA Reveals Structural Basis for Different Hybridization Affinity toward Complementary Natural Nucleic Acids, Reynders S, Rihon J, Lescrinier E, Journal Of Chemical Theory And Computation; 2025; Vol. 21; iss. 5; pp. 2798 - 2814, doi: 10.1021/acs.jctc.4c01316
• Discovery and Exploration of Disubstituted [1,2,5]Oxadiazolo-[3,4-B]Pyrazines as Novel C-C Chemokine Receptor Type 5 Signaling Inhibitors Targeting the Intracellular Allosteric Binding Pocket, Billen M, Reynders S, Claes S, Kleinboelting S, Rozenski J, Bulai R, Rocca E, Homer N, Webster S, Kaminski T, Lescrinier E, Schols D, Verwilst P, SSRN; 2024
• pH-Activatable Molecular Probe for COX-2 Imaging in Human Oral Squamous Carcinoma Cells and Patient-Derived Tissues, Kumar A, George J, Sharma S, Koyyadi S, Sharma S, Verwilst P, Bhatia A, Patro S, Aggarwal A, Gupta S, Sharma S, Sharma A, ACS Applied Bio Materials; 2024; Vol. 7; iss. 12; pp. 8517 - 8527, doi: 10.1021/acsabm.4c01323