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Cover Image for Deciphering the enzymatic target of a new family of antischistosomal agents bearing a quinazoline scaffold using complementary computational tools.

Deciphering the enzymatic target of a new family of antischistosomal agents bearing a quinazoline scaffold using complementary computational tools.

Victor Sebastian-Perez, Alfonso García-Rubia, Sayed H Seif El-Din, Abdel-Nasser A Sabra, Naglaa M El-Lakkany, Samia William, Tom L Blundell, Louis Maes, Ana Martinez, Nuria E Campillo, Sanaa S Botros, Carmen Gil

Mar 11, 2021

A previous phenotypic screening campaign led to the identification of a quinazoline derivative with promising in vitro activity against Schistosoma mansoni. Follow-up studies of the antischistosomal potential of this candidate...

Drug Discovery Schistosoma mansoni quinazoline target deconvolution Aldehyde Reductase Animals Anthelmintics Dose-Response Relationship Drug Enzyme Inhibitors Male Mice Models Molecular Molecular Structure Quinazolines Schistosoma mansoni Structure-Activity Relationship

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$Cover Image for Target identification of $\textit{Mycobacterium tuberculosis phenotypic}$ hits using a concerted chemogenomic, biophysical and structural approach$ View Article

Target identification of $\textit{Mycobacterium tuberculosis phenotypic}$ hits using a concerted chemogenomic, biophysical and structural approach

G Mugumbate, V Silva E Costa Mendes, M Blaszczyk, M Sabbah, G Papadatos, J Lelievre, L Ballell, D Barros, C Abell, TL Blundell, JP Overington

Feb 02, 2018

Mycobacterium tuberculosis Tuberculosis phenotypic hits target identification In silico target prediction target deconvolution Drug Resistance EthR InhA

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