| Synthesis of pyrazole-based macrocycles leads to a highly selective inhibitor for MST3
Amrhein, J. A., Berger, L. M., Balourdas, D. I., Joerger, A. C., Menge, A., Krämer, A., … Hanke, T. (2024). Synthesis of pyrazole-based macrocycles leads to a highly selective inhibitor for MST3. Journal of Medicinal Chemistry, 67(1), 674-690. https://doi.org/10.1021/acs.jmedchem.3c01980 |
| Development of a series of pyrrolopyridone MAT2A inhibitors
Atkinson, S. J., Bagal, S. K., Argyrou, A., Askin, S., Cheung, T., Chiarparin, E., … Williamson, B. (2024). Development of a series of pyrrolopyridone MAT2A inhibitors. Journal of Medicinal Chemistry, 67(6), 4541-4559. https://doi.org/10.1021/acs.jmedchem.3c01860 |
| Probing protein-ligand methyl−π interaction geometries through chemical shift measurements of selectively labeled methyl groups
Beier, A., Platzer, G., Höfurthner, T., Ptaszek, A. L., Lichtenecker, R. J., Geist, L., … Konrat, R. (2024). Probing protein-ligand methyl−π interaction geometries through chemical shift measurements of selectively labeled methyl groups. Journal of Medicinal Chemistry, 67(15), 13187-13196. https://doi.org/10.1021/acs.jmedchem.4c01128 |
| PROTACs targeting BRM (SMARCA2) afford selective <em>In vivo</em> degradation over BRG1 (SMARCA4) and are active in BRG1 mutant xenograft tumor models
Berlin, M., Cantley, J., Bookbinder, M., Bortolon, E., Broccatelli, F., Cadelina, G., … Dragovich, P. S. (2024). PROTACs targeting BRM (SMARCA2) afford selective In vivo degradation over BRG1 (SMARCA4) and are active in BRG1 mutant xenograft tumor models. Journal of Medicinal Chemistry, 67, 1262-1313. https://doi.org/10.1021/acs.jmedchem.3c01781 |
| Discovery and optimization of pyridazinones as PI3K<em>δ</em> selective inhibitors for administration by inhalation
Bruno, P., Micoli, A., Corsi, M., Pala, D., Guariento, S., Fiorelli, C., … Capelli, A. M. (2024). Discovery and optimization of pyridazinones as PI3Kδ selective inhibitors for administration by inhalation. Journal of Medicinal Chemistry, 67, 11103-11124. https://doi.org/10.1021/acs.jmedchem.4c00610 |
| Development of potent and selective monoacylglycerol lipase inhibitors. SARs, structural analysis, and biological characterization
Butini, S., Grether, U., Jung, K. M., Ligresti, A., Allarà, M., Postmus, A. G. J., … Campiani, G. (2024). Development of potent and selective monoacylglycerol lipase inhibitors. SARs, structural analysis, and biological characterization. Journal of Medicinal Chemistry, 67(3), 1758-1782. https://doi.org/10.1021/acs.jmedchem.3c01278 |
| Discovery of JNJ-74856665: a novel isoquinolinone DHODH inhibitor for the treatment of AML
DeRatt, L. G., Zhang, Z., Pietsch, C., Cisar, J. S., Zhang, X., Wang, W., … Kuduk, S. D. (2024). Discovery of JNJ-74856665: a novel isoquinolinone DHODH inhibitor for the treatment of AML. Journal of Medicinal Chemistry, 67, 11254-11272. https://doi.org/10.1021/acs.jmedchem.4c00809 |
| Discovery of the sEH inhibitor epoxykynin as a potent kynurenine pathway modulator
Dötsch, L., Davies, C., Hennes, E., Schönfeld, J., Kumar, A., Guita, C. D. C. L., … Waldmann, H. (2024). Discovery of the sEH inhibitor epoxykynin as a potent kynurenine pathway modulator. Journal of Medicinal Chemistry, 67(6), 4691-4706. https://doi.org/10.1021/acs.jmedchem.3c02245 |
| The discovery of 7-isopropoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-<em>N</em>-(6-methylpyrazolo[1,5-<em>a</em>]pyrimidin-3-yl)imidazo[1,2-<em>a</em>]pyrimidine-6-carboxamide (BIO-7488), a potent, selective, and CNS-penetrant IRAK4 inhibitor for the
Evans, R., Bolduc, P. N., Pfaffenbach, M., Gao, F., May-Dracka, T., Fang, T., … Peterson, E. A. (2024). The discovery of 7-isopropoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)imidazo[1,2-a]pyrimidine-6-carboxamide (BIO-7488), a potent, selective, and CNS-penetrant IRAK4 inhibitor for the treatment of ischemic stroke. Journal of Medicinal Chemistry, 67(6), 4676-4690. https://doi.org/10.1021/acs.jmedchem.3c02226 |
| Back-pocket optimization of 2-aminopyrimidine-based macrocycles leads to potent EPHA2/GAK kinase inhibitors
Gerninghaus, J., Zhubi, R., Krämer, A., Karim, M., Tran, D. H. N., Joerger, A. C., … Hanke, T. (2024). Back-pocket optimization of 2-aminopyrimidine-based macrocycles leads to potent EPHA2/GAK kinase inhibitors. Journal of Medicinal Chemistry, 67(1), 12534-12552. https://doi.org/10.1021/acs.jmedchem.4c00411 |
| Discovery and preclinical characterization of BIIB129, a covalent, selective, and brain-penetrant BTK inhibitor for the treatment of multiple sclerosis
Himmelbauer, M. K., Bajrami, B., Basile, R., Capacci, A., Chen, T. Y., Choi, C. K., … Hopkins, B. T. (2024). Discovery and preclinical characterization of BIIB129, a covalent, selective, and brain-penetrant BTK inhibitor for the treatment of multiple sclerosis. Journal of Medicinal Chemistry, 67(10), 8122-8140. https://doi.org/10.1021/acs.jmedchem.4c00220 |
| Spiro-azetidine oxindoles as long-acting injectables for pre-exposure prophylaxis against respiratory syncytial virus infections
Kesteleyn, B., Herschke, F., Darville, N., Stoops, B., Jacobs, T., Jacoby, E., … Jonckers, T. H. M. (2024). Spiro-azetidine oxindoles as long-acting injectables for pre-exposure prophylaxis against respiratory syncytial virus infections. Journal of Medicinal Chemistry, 67, 10986-11002. https://doi.org/10.1021/acs.jmedchem.4c00514 |
| BAY-9835: discovery of the first orally bioavailable ADAMTS7 inhibitor
Meibom, D., Wasnaire, P., Beyer, K., Broehl, A., Cancho-Grande, Y., Elowe, N., … Zubov, D. (2024). BAY-9835: discovery of the first orally bioavailable ADAMTS7 inhibitor. Journal of Medicinal Chemistry, 67(4), 2907-2940. https://doi.org/10.1021/acs.jmedchem.3c02036 |
| More than an amide bioisostere: discovery of 1,2,4-triazole-containing pyrazolo[1,5-<em>a</em>]pyrimidine host CSNK2 inhibitors for combatting <em>β</em>-coronavirus replication
Ong, H. W., Yang, X., Smith, J. L., Dickmander, R. J., Brown, J. W., Havener, T. M., … Willson, T. M. (2024). More than an amide bioisostere: discovery of 1,2,4-triazole-containing pyrazolo[1,5-a]pyrimidine host CSNK2 inhibitors for combatting β-coronavirus replication. Journal of Medicinal Chemistry, 67(14), 12261-12313. https://doi.org/10.1021/acs.jmedchem.4c00962 |
| Fragment-based discovery of a series of allosteric-binding site modulators of <em>β</em>-glucocerebrosidase
Palmer, N., Agnew, C., Benn, C., Buffham, W. J., Castro, J. N., Chessari, G., … Tisi, D. (2024). Fragment-based discovery of a series of allosteric-binding site modulators of β-glucocerebrosidase. Journal of Medicinal Chemistry, 67(13), 11168-11181. https://doi.org/10.1021/acs.jmedchem.4c00702 |
| Discovery of BIO-8169-a highly potent, selective, and brain-penetrant IRAK4 inhibitor for the treatment of neuroinflammation
Pfaffenbach, M., Bolduc, P. N., Xin, Z., Gao, F., Evans, R., Fang, T., … Peterson, E. A. (2024). Discovery of BIO-8169-a highly potent, selective, and brain-penetrant IRAK4 inhibitor for the treatment of neuroinflammation. Journal of Medicinal Chemistry, 67(10), 8383-8395. https://doi.org/10.1021/acs.jmedchem.4c00560 |
| Development of selective pyrido[2,3-<em>d</em>]pyrimidin-7(8<em>H</em>)-one-based Mammalian STE20-like (MST3/4) kinase inhibitors
Rak, M., Menge, A., Tesch, R., Berger, L. M., Balourdas, D. I., Shevchenko, E., … Knapp, S. (2024). Development of selective pyrido[2,3-d]pyrimidin-7(8H)-one-based Mammalian STE20-like (MST3/4) kinase inhibitors. Journal of Medicinal Chemistry, 67(5), 3813-3842. https://doi.org/10.1021/acs.jmedchem.3c02217 |
| Structure-guided elaboration of a fragment-like hit into an orally efficacious leukotriene A4 hydrolase inhibitor
Thoma, G., Miltz, W., Srinivas, H., Penno, C. A., Kiffe, M., Gajewska, M., … Röhn, T. A. (2024). Structure-guided elaboration of a fragment-like hit into an orally efficacious leukotriene A4 hydrolase inhibitor. Journal of Medicinal Chemistry, 67(6), 5093-5108. https://doi.org/10.1021/acs.jmedchem.4c00290 |
| Synthesis and biological evaluation of pyrazole-pyrimidones as a new class of correctors of the cystic fibrosis transmembrane conductance regulator (CFTR)
Vaccarin, C., Veit, G., Hegedus, T., Torres, O., Chilin, A., Lukacs, G. L., & Marzaro, G. (2024). Synthesis and biological evaluation of pyrazole-pyrimidones as a new class of correctors of the cystic fibrosis transmembrane conductance regulator (CFTR). Journal of Medicinal Chemistry, 67, 13891-13908. https://doi.org/10.1021/acs.jmedchem.4c00685 |
| Ligandability assessment of IL-1<em>β</em> by integrated hit identification approaches
Vulpetti, A., Rondeau, J. M., Bellance, M. H., Blank, J., Boesch, R., Boettcher, A., … Hurth, K. (2024). Ligandability assessment of IL-1β by integrated hit identification approaches. Journal of Medicinal Chemistry, 67, 8141-8160. https://doi.org/10.1021/acs.jmedchem.4c00240 |
