title: Substituted tetrazoles as multipurpose screening compounds.
abstract: Tetrazoles are small functional heterocycles that are suited to serve simultaneously as aromatic platform for diversity and as functional interaction motif. Furthermore, the tetrazole ring and its deprotonated tetrazolate counterpart are metal ion complexing ligands that possess a rich variety of binding and bridging modes. We recently demonstrated that fragments containing the tetrazole moiety and a metal chelating hydrazide group are well suited to discover selective screening hits with high ligand efficiency for a given protein target. Here, we report the synthesis and characterization of new polydentate tetrazole-containing screening compounds and their synthetic precursors as well as their deposition in a multipurpose screening library in the frame of the EU-OPENSCREEN network. The pure and well-characterized screening compounds could be useful to aid drug discovery programs for multiple or hitherto undruggable targets by enclosure of under-represented tetrazole derivatives.
authors.affiliation: Institute of Pharmacy, Ernst-Moritz-Arndt-University Greifswald, Friedrich-Ludwig-Jahn-Str. 17, 17487, Greifswald, Germany.
authors.forename: Nicole
authors.initials: N
authors.lastname: Rüger
authors.affiliation: Institute of Pharmacy, Ernst-Moritz-Arndt-University Greifswald, Friedrich-Ludwig-Jahn-Str. 17, 17487, Greifswald, Germany.
authors.forename: Georg Michael
authors.initials: GM
authors.lastname: Fassauer
authors.affiliation: Institute of Pharmacy, Ernst-Moritz-Arndt-University Greifswald, Friedrich-Ludwig-Jahn-Str. 17, 17487, Greifswald, Germany.
authors.forename: Christian
authors.initials: C
authors.lastname: Bock
authors.affiliation: Institute of Pharmacy, Ernst-Moritz-Arndt-University Greifswald, Friedrich-Ludwig-Jahn-Str. 17, 17487, Greifswald, Germany.
authors.forename: Thomas
authors.initials: T
authors.lastname: Emmrich
authors.affiliation: Institute of Pharmacy, Ernst-Moritz-Arndt-University Greifswald, Friedrich-Ludwig-Jahn-Str. 17, 17487, Greifswald, Germany.
authors.forename: Anja
authors.initials: A
authors.lastname: Bodtke
authors.affiliation: Institute of Pharmacy, Ernst-Moritz-Arndt-University Greifswald, Friedrich-Ludwig-Jahn-Str. 17, 17487, Greifswald, Germany. link@uni-greifswald.de.
authors.forename: Andreas
authors.identifier: http://orcid.org/0000-0003-1262-6636
authors.initials: A
authors.lastname: Link
mesh_terms: D004353:Drug Evaluation, Preclinical; D008958:Models, Molecular; D008968:Molecular Conformation; D013777:Tetrazoles / Q000138:chemical synthesis / Q000737:chemistry*
chemical_list: D013777:Tetrazoles
keywords: High-throughput screening; Hydrazides; Hydrazones; Metal complexing agents; Open access data bank; Targeted library