Discovery of novel drug-like antitubercular hits targeting the MEP pathway enzyme DXPS by strategic application of ligand-based virtual screening

In the present manuscript, we describe how we successfully used ligand-based virtual screening (LBVS) to identify two small-molecule, drug-like hit classes with excellent ADMET profiles against the difficult to address microbial enzyme 1-deoxy-d-xylulose-5-phosphate synthase (DXPS). In the fight aga...

Descripción completa

Detalles Bibliográficos
Autores principales: Zhu, Di, Johannsen, Sandra, Masini, Tiziana, Simonin, Céline, Haupenthal, Jörg, Illarionov, Boris, Andreas, Anastasia, Awale, Mahendra, Gierse, Robin M., van der Laan, Tridia, van der Vlag, Ramon, Nasti, Rita, Poizat, Mael, Buhler, Eric, Reiling, Norbert, Müller, Rolf, Fischer, Markus, Reymond, Jean-Louis, Hirsch, Anna K. H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9491098/
https://www.ncbi.nlm.nih.gov/pubmed/36320685
http://dx.doi.org/10.1039/d2sc02371g

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9491098/
https://www.ncbi.nlm.nih.gov/pubmed/36320685
http://dx.doi.org/10.1039/d2sc02371g

Ejemplares similares