Green Drug Discovery:Novel Fragment Space from the Biomass-Derived Molecule Dihydrolevoglucosenone (CyreneTM)

Autor: Tom Dekker, Jaap W. Harteveld, Gábor Wágner, Max C. M. de Vries, Hans Custers, Andrea C. van de Stolpe, Iwan J. P. de Esch, Maikel Wijtmans

Publikováno v: Dekker, T, Harteveld, J W, Wágner, G, de Vries, M C M, Custers, H, van de Stolpe, A C, de Esch, I J P & Wijtmans, M 2023, ' Green Drug Discovery : Novel Fragment Space from the Biomass-Derived Molecule Dihydrolevoglucosenone (Cyrene TM ) ', Molecules (Basel, Switzerland), vol. 28, no. 4, 1777, pp. 1-19 . https://doi.org/10.3390/molecules28041777
Molecules
Volume 28
Issue 4
Pages: 1777
Molecules (Basel, Switzerland), 28(4):1777, 1-19. Multidisciplinary Digital Publishing Institute (MDPI)

Biomass-derived molecules can provide a basis for sustainable drug discovery. However, their full exploration is hampered by the dominance of millions of old-fashioned screening compounds in classical high-throughput screening (HTS) libraries frequen

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1ec4e77a32049650e77a32b9d1988963
https://research.vu.nl/en/publications/720e28c6-0b97-486a-9ca5-ebc6a993e7b2

Catechol Pyrazolinones as Trypanocidals: Fragment-Based Design, Synthesis, and Pharmacological Evaluation of Nanomolar Inhibitors of Trypanosomal Phosphodiesterase B1

Autor: Geert Jan Sterk, Paul England, Paul Cos, Erika van den Bogaart, Thomas Seebeck, Vreni Balmer, Anitha Shanmugham, Jean-Robert Ioset, Iwan J. P. de Esch, Xuan Lan Vu, Emily R. Adams, Eric Chatelain, Kristina M. Orrling, Chimed Jansen, Rob Leurs, Patrick Bregy, Andrea C. van de Stolpe, David S. Bailey, Johan Veerman, Stèphanie Zorg, Louis Maes

Publikováno v: Journal of Medicinal Chemistry, 55, 8745-8756. American Chemical Society
Journal of medicinal chemistry
Journal of medicinal chemistry, 55(20), 8745-8756. American Chemical Society
Orrling, K M, Jansen, C J W, Vu, X L, Balmer, V, Bregy, P, Shanmugham, A, England, P, Bailey, D, Cos, P, Maes, L, Adams, E, van den Bogaart, E, Chatelain, E, Ioset, J R, van de Stolpe, A, Zorg, S, Veerman, J, Seebeck, T, Sterk, G J, de Esch, I J P & Leurs, R 2012, ' Catechol pyrazolinones as trypanocidals: fragment-based design, synthesis, and pharmacological evaluation of nanomolar inhibitors of trypanosomal phosphodiesterase b1 ', Journal of Medicinal Chemistry, vol. 55, pp. 8745-8756 . https://doi.org/10.1021/jm301059b

Trypanosomal phosphodiesterases B1 and B2 (TbrPDEB1 and TbrPDEB2) play an important role in the life cycle of Trypanosoma brucei, the causative parasite of human African trypanosomiasis (HAT), also known as African sleeping sickness. We used homology

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::16156c197939817e91e94a7729d0918c
https://doi.org/10.1021/jm301059b

Antinociceptive activity of furan-containing congeners of improgan and ranitidine

Autor: I.J.P. de Esch, Lindsay B. Hough, Wiro M. P. B. Menge, A. C. Van De Stolpe, Julia W. Nalwalk, Rob Leurs

Publikováno v: Hough, L H, Menge, W M P B, van de Stolpe, A, Nalwalk, J B, Leurs, R & de Esch, I J P 2007, ' Antinociceptive activity of furan-containing congeners of improgan and ranitidine ', Bioorganic and Medicinal Chemistry Letters, vol. 17, no. 20, pp. 5715-9 . https://doi.org/10.1016/j.bmcl.2007.07.060
Bioorganic and Medicinal Chemistry Letters, 17(20), 5715-9. Elsevier Limited

Furan-containing congeners of the histamine H 2 receptor antagonist ranitidine were synthesized and tested for improgan-like antinociceptive activity. The most potent ligand of the series, VUF5498, is the most potent improgan-like agent described to

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0b3f466d6148cec665721fb85de705e8
https://hdl.handle.net/1871/20558

Synthesis and structure-activity relationships of carboxyflavones as structurally rigid CysLT1 (LTD4) receptor antagonists

Autor: Yasushi Wada, Henk Timmerman, A. C. Van De Stolpe, M.-Q. Zhang, M. E. Zwaagstra, F. J. J. De Kanter, Masahiro Tamura

Publikováno v: Journal of Medicinal Chemistry, 41, 1428-1438. American Chemical Society
Zwaagstra, M E, Timmerman, H, Stolpe, A C, de Kanter, F J J, Tamura, M, Wada, Y & Zhang, M Q 1998, ' Synthesis and structure-activity relationships of carboxyflavones as structurally rigid CysLT1 (LTD4) receptor antagonists. ', Journal of Medicinal Chemistry, vol. 41, pp. 1428-1438 . https://doi.org/10.1021/jm970179x

The synthesis and CysLT1 receptor affinities of a new series of highly rigid 3'- and 4'-(2-quinolinylmethoxy)- or 3'- and 4'-[2-(2-quinolinyl)ethenyl]-substituted, 6-, 7-, or 8-carboxylated flavones are described. CysLT1 receptor affinities of the fl

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4f8a3784d905ec4a2d81f992d6cbfd71
https://doi.org/10.1021/jm970179x

Molecular determinants of ligand binding modes in the histamine H(4) receptor: linking ligand-based three-dimensional quantitative structure-activity relationship (3D-QSAR) models to in silico guided receptor mutagenesis studies

Autor: Henry F. Vischer, Iwan J. P. de Esch, Rob Leurs, Andrea C. van de Stolpe, Saskia Nijmeijer, Herman D. Lim, Albert J. Kooistra, Luc Roumen, Enade Perdana Istyastono, Chris de Graaf

Publikováno v: Journal of medicinal chemistry. 54(23)

The histamine H(4) receptor (H(4)R) is a G protein-coupled receptor (GPCR) that plays an important role in inflammation. Similar to the homologous histamine H(3) receptor (H(3)R), two acidic residues in the H(4)R binding pocket, D(3.32) and E(5.46),

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::69f48397e5400e4e1b156239bf93cf33
https://pubmed.ncbi.nlm.nih.gov/22003888