Identification of a pyrimidinetrione derivative as the potent DprE1 inhibitor by structure-based virtual ligand screening.
Sign Up to like & getrecommendations! Published in 2019 at "Bioorganic chemistry"
DOI: 10.1016/j.bioorg.2018.12.018
Abstract: Despite the increasing need of new antituberculosis drugs, the number of agents approved for the market has fallen to an all-time low. In response to the emerging drug resistance followed, structurally unique chemical entities will… read more here.
Keywords: pyrimidinetrione derivative; identification pyrimidinetrione; dpre1; potent dpre1 ... See more keywords
Identification and Profiling of Hydantoins-A Novel Class of Potent Antimycobacterial DprE1 Inhibitors.
Sign Up to like & getrecommendations! Published in 2018 at "Journal of medicinal chemistry"
DOI: 10.1021/acs.jmedchem.8b01356
Abstract: Tuberculosis is the leading cause of death worldwide from infectious diseases. With the development of drug-resistant strains of Mycobacterium tuberculosis, there is an acute need for new medicines with novel modes of action. Herein, we… read more here.
Keywords: profiling hydantoins; identification profiling; dpre1; hydantoins novel ... See more keywords
Chemical Space Exploration of DprE1 Inhibitors Using Chemoinformatics and Artificial Intelligence
Sign Up to like & getrecommendations! Published in 2021 at "ACS Omega"
DOI: 10.1021/acsomega.1c01314
Abstract: Tuberculosis (TB), entrained by Mycobacterium tuberculosis, continues to be an enfeebling disease, killing nearly 1.5 million people in 2019, with 2 billion people worldwide affected by latent TB. The multidrug-resistant and totally drug-resistant emerging strains… read more here.
Keywords: dpre1 inhibitors; analysis; dpre1; chemical space ... See more keywords
Discovery of novel DprE1 inhibitors via computational bioactivity fingerprints and structure-based virtual screening.
Sign Up to like & getrecommendations! Published in 2021 at "Acta pharmacologica Sinica"
DOI: 10.1038/s41401-021-00779-1
Abstract: Decaprenylphosphoryl-β-D-ribose oxidase (DprE1) plays important roles in the biosynthesis of mycobacterium cell wall. DprE1 inhibitors have shown great potentials in the development of new regimens for tuberculosis (TB) treatment. In this study, an integrated molecular… read more here.
Keywords: dpre1 inhibitors; fingerprints structure; dpre1; bioactivity fingerprints ... See more keywords
Mycobacterium tuberculosis DprE1 Inhibitor OPC-167832 Is Active against Mycobacterium abscessus In Vitro
Sign Up to like & getrecommendations! Published in 2022 at "Antimicrobial Agents and Chemotherapy"
DOI: 10.1128/aac.01237-22
Abstract: The antituberculosis candidate OPC-167832, an inhibitor of DprE1, was active against Mycobacterium abscessus. Resistance mapped to M. abscessus dprE1, suggesting target retention. ABSTRACT The antituberculosis candidate OPC-167832, an inhibitor of DprE1, was active against Mycobacterium… read more here.
Keywords: opc 167832; dpre1; mycobacterium abscessus; mycobacterium ... See more keywords
The Veterinary Anti-Parasitic Selamectin Is a Novel Inhibitor of the Mycobacterium tuberculosis DprE1 Enzyme
Sign Up to like & getrecommendations! Published in 2022 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms23020771
Abstract: Avermectins are macrocyclic lactones with anthelmintic activity. Recently, they were found to be effective against Mycobacterium tuberculosis, which accounts for one third of the worldwide deaths from antimicrobial resistance. However, their anti-mycobacterial mode of action… read more here.
Keywords: mycobacterium tuberculosis; tuberculosis; dpre1; veterinary anti ... See more keywords