Anti-Diabetic Activities and Molecular Docking Studies of Aryl-Substituted Pyrazolo[3,4-b]pyridine Derivatives Synthesized via Suzuki Cross-Coupling Reaction

Autor: Iqra Rafique, Tahir Maqbool, Floris P. J. T. Rutjes, Ali Irfan, Yousef A. Bin Jardan

Publikováno v: Pharmaceuticals, Vol 17, Iss 10, p 1326 (2024)

Pyrazolo[3,4-b]pyridine scaffolds have been heavily exploited in the development of nitrogen-containing heterocycles with numerous therapeutic applications in the field of medicinal and pharmaceutical chemistry. The present work describes the synthes

Externí odkaz: https://doaj.org/article/eb26e32991014f8b91917d01a4af2330

Fine-tuning of lysine side chain modulates the activity of histone lysine methyltransferases

Autor: Abbas H. K. Al Temimi, Jona Merx, Christian J. van Noortwijk, Giordano Proietti, Romano Buijs, Paul B. White, Floris P. J. T. Rutjes, Thomas J. Boltje, Jasmin Mecinović

Publikováno v: Scientific Reports, Vol 10, Iss 1, Pp 1-12 (2020)

Abstract Histone lysine methyltransferases (KMTs) play an important role in epigenetic gene regulation and have emerged as promising targets for drug discovery. However, the scope and limitation of KMT catalysis on substrates possessing substituted l

Externí odkaz: https://doaj.org/article/d597a3d415a940e1a621ac071eda0bb4

Absolute configuration and host-guest binding of chiral porphyrin-cages by a combined chiroptical and theoretical approach

Autor: Jiangkun Ouyang, Anne Swartjes, Marc Geerts, Pieter J. Gilissen, Danni Wang, Paula C. P. Teeuwen, Paul Tinnemans, Nicolas Vanthuyne, Sara Chentouf, Floris P. J. T. Rutjes, Jean-Valère Naubron, Jeanne Crassous, Johannes A. A. W. Elemans, Roeland J. M. Nolte

Publikováno v: Nature Communications, Vol 11, Iss 1, Pp 1-11 (2020)

Vibrational circular dichroism (VCD) spectroscopy can be useful for determining the absolute configuration of chiral molecules, as long as the signal intensities are high enough. Here, the authors establish the absolute configurations of two large ch

Externí odkaz: https://doaj.org/article/0c05c7c5df5042be898233ef4d5a7aa7

An Automated, Open-Source Workflow for the Generation of (3D) Fragment Libraries

Autor: Tom Dekker, Mathilde A. C. H. Janssen, Christina Sutherland, Rene W. M. Aben, Hans W. Scheeren, Daniel Blanco-Ania, Floris P. J. T. Rutjes, Maikel Wijtmans, Iwan J. P. de Esch

Publikováno v: ACS Medicinal Chemistry Letters, 14, 583-590
Dekker, T, Janssen, M A C H, Sutherland, C, Aben, R W M, Scheeren, H W, Blanco-Ania, D, Rutjes, F P J T, Wijtmans, M & de Esch, I J P 2023, ' An Automated, Open-Source Workflow for the Generation of (3D) Fragment Libraries ', ACS medicinal chemistry letters, vol. 14, no. 5, pp. 583-590 . https://doi.org/10.1021/acsmedchemlett.2c00503
ACS Medicinal Chemistry Letters, 14, 5, pp. 583-590

The recent success of fragment-based drug discovery (FBDD) is inextricably linked to adequate library design. To guide the design of our fragment libraries, we have constructed an automated workflow in the open-source KNIME software. The workflow con

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6f290b95a10c644f2244897f62175c70
https://doi.org/10.1021/acsmedchemlett.2c00503

Carbonylonium ions: the onium ions of the carbonyl group

Autor: Daniel Blanco-Ania, Floris P. J. T. Rutjes

Publikováno v: Beilstein Journal of Organic Chemistry, Vol 14, Iss 1, Pp 2568-2571 (2018)

The nomenclature of cations R1C(=O+R3)R2 (R1, R2, R3 = H or organyl) has been examined and shown to be in a state of immeasurable confusion: a pragmatic recommendation is made that the generic term “carbonylonium ions” should be adopted for these

Externí odkaz: https://doaj.org/article/8f40103ddd624062b752c5b57461739e