Screening of a PDE-focused library identifies imidazoles with in vitro and in vivo antischistosomal activity

Autor: Sanaa S. Botros, Samia William, Abdel-Nasser A. Sabra, Naglaa M. El-Lakkany, Sayed H. Seif el-Din, Alfonso García-Rubia, Victor Sebastián-Pérez, Antoni R. Blaazer, Erik de Heuvel, Maarten Sijm, Yang Zheng, Irene G. Salado, Jane C. Munday, Louis Maes, Iwan J.P. de Esch, Geert J. Sterk, Koen Augustyns, Rob Leurs, Carmen Gil, Harry P. De Koning

Publikováno v: International Journal for Parasitology: Drugs and Drug Resistance, Vol 9, Iss , Pp 35-43 (2019)

We report the evaluation of 265 compounds from a PDE-focused library for their antischistosomal activity, assessed in vitro using Schistosoma mansoni. Of the tested compounds, 171 (64%) displayed selective in vitro activity, with 16 causing worm hype

Externí odkaz: https://doaj.org/article/cdcde76f0d614f8da6d01b3d4b7709e4

In Silico Veritas: The Pitfalls and Challenges of Predicting GPCR-Ligand Interactions

Autor: Sander B. Nabuurs, Jan P.G. Klomp, Rob Leurs, Jacob De Vlieg, Iwan J.P. De Esch, Bas Vroling, Marijn P.A. Sanders, Luc Roumen, Chris De Graaf

Publikováno v: Pharmaceuticals, Vol 4, Iss 9, Pp 1196-1215 (2011)

Recently the first community-wide assessments of the prediction of the structures of complexes between proteins and small molecule ligands have been reported in the so-called GPCR Dock 2008 and 2010 assessments. In the current review we discuss the d

Externí odkaz: https://doaj.org/article/b817a1a6078842f9b85b0a7b3d4636bb

Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors

Autor: Erik de Heuvel, Abhimanyu K. Singh, Ewald Edink, Tiffany van der Meer, Melanie van der Woude, Payman Sadek, Mikkel P. Krell-Jørgensen, Toine van den Bergh, Johan Veerman, Guy Caljon, Titilola D. Kalejaiye, Maikel Wijtmans, Louis Maes, Harry P. de Koning, Geert Jan Sterk, Marco Siderius, Iwan J.P. de Esch, David G. Brown, Rob Leurs

Publikováno v: Bioorganic and Medicinal Chemistry, 27(18), 3998-4012. Elsevier Limited
de Heuvel, E, Singh, A K, Edink, E, van der Meer, T, van der Woude, M, Sadek, P, Krell-Jørgensen, M P, van den Bergh, T, Veerman, J, Caljon, G, Kalejaiye, T D, Wijtmans, M, Maes, L, de Koning, H P, Jan Sterk, G, Siderius, M, de Esch, I J P, Brown, D G & Leurs, R 2019, ' Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors ', Bioorganic and Medicinal Chemistry, vol. 27, no. 18, pp. 3998-4012 . https://doi.org/10.1016/j.bmc.2019.06.027

Several 3',5'-cyclic nucleotide phosphodiesterases (PDEs) have been validated as good drug targets for a large variety of diseases. Trypanosoma brucei PDEB1 (TbrPDEB1) has been designated as a promising drug target for the treatment of human African

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7977de212c1b702b8e7a0a91b90f42f3
https://doi.org/10.1016/j.bmc.2019.06.027