Easy Synthesis and In Vitro Evaluation of Halogenated Chalcones against Trypanosoma cruzi.

Autor: Avila-Sorrosa, Alcives¹ (AUTHOR) aavilas@ipn.mx, Laurel-Gochicoa, Diana J.¹ (AUTHOR), Vargas-Díaz, María Elena¹ (AUTHOR), Nogueda-Torres, Benjamín² (AUTHOR) aavilas@ipn.mx, Gómez-Escobedo, Rogelio I.² (AUTHOR)

Publikováno v: Chemistry (2624-8549). Oct2024, Vol. 6 Issue 5, p1201-1216. 16p.

Assessment of the Lipophilicity of Indole Derivatives of Betulin and Their Toxicity in a Zebrafish Model.

Autor: Rzepka, Zuzanna¹ (AUTHOR) zrzepka@sum.edu.pl, Bober-Majnusz, Katarzyna² (AUTHOR) bober@sum.edu.pl, Hermanowicz, Justyna Magdalena^3,4 (AUTHOR) justyna.hermanowicz@umb.edu.pl, Bębenek, Ewa⁵ (AUTHOR) ebebenek@sum.edu.pl, Chrobak, Elwira⁵ (AUTHOR) echrobak@sum.edu.pl, Surażyński, Arkadiusz⁶ (AUTHOR) arkadiusz.surazynski@umb.edu.pl, Wrześniok, Dorota¹ (AUTHOR) dwrzesniok@sum.edu.pl

Publikováno v: Molecules. Sep2024, Vol. 29 Issue 18, p4408. 16p.

Optimizing virtual fragment screening for GPCRs: Identification of novel ligands for the histamine H3 receptor using ligand- and structure-based molecular fingerprints

Autor: Sirci, F., Istyastono, E.P., Vischer, H.F., Nijmeijer, S., Kuijer, M., Kooistra, A.J., Wijtmans, M., Mannhold, R., Leurs, R., de Esch, I.J.P., de Graaf, C.

Publikováno v: Sirci, F, Istyastono, E P, Vischer, H F, Nijmeijer, S, Kuijer, M, Kooistra, A J, Wijtmans, M, Mannhold, R, Leurs, R, de Esch, I J P & de Graaf, C 2012, ' Optimizing virtual fragment screening for GPCRs: Identification of novel ligands for the histamine H3 receptor using ligand-and structure-based molecular fingerprints ', Journal of Chemical Information and Modeling, vol. 52, pp. 3308-3324 . https://doi.org/10.1021/ci3004094
Journal of Chemical Information and Modeling, 52, 3308-3324. American Chemical Society

Virtual fragment screening (VFS) is a promising new method that uses computer models to identify small, fragment-like biologically active molecules as useful starting points for fragment-based drug discovery (FBDD). Training sets of true active and i

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::c0625e04540225af4f9f596af38dcb28
https://hdl.handle.net/1871.1/41cf5573-d257-498b-850a-5106d1a96a64

Protein-protein interactions : an overview

Autor: Ottmann, C., Dömling, A., Mannhold, R., Kubynil, H., Folkers, G.

Publikováno v: Protein-Protein Interactions in Drug Discovery, 1-19
STARTPAGE=1;ENDPAGE=19;TITLE=Protein-Protein Interactions in Drug Discovery
Protein-Protein Interactions in Drug Discovery

No abstract.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::61eccc44d781e8550d4e2f5435026b76
https://research.tue.nl/nl/publications/835deacb-90db-461f-a96f-e028cf4fd556

Study of the Lipophilicity and ADMET Parameters of New Anticancer Diquinothiazines with Pharmacophore Substituents.

Autor: Klimoszek, Daria¹ (AUTHOR) d201204@365.sum.edu.pl, Jeleń, Małgorzata² (AUTHOR) bmlodawska@sum.edu.pl, Dołowy, Małgorzata¹ (AUTHOR) mdolowy@sum.edu.pl, Morak-Młodawska, Beata² (AUTHOR)

Publikováno v: Pharmaceuticals (14248247). Jun2024, Vol. 17 Issue 6, p725. 21p.