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  • Title: Fragment Discovery for the Design of Nitrogen Heterocycles as Mycobacterium tuberculosis Dihydrofolate Reductase Inhibitors.
    Author: Shelke RU, Degani MS, Raju A, Ray MK, Rajan MG.
    Journal: Arch Pharm (Weinheim); 2016 Aug; 349(8):602-13. PubMed ID: 27320965.
    Abstract:
    Fragment-based drug design was used to identify Mycobacterium tuberculosis (Mtb) dihydrofolate reductase (DHFR) inhibitors. Screening of ligands against the Mtb DHFR enzyme resulted in the identification of multiple fragment hits with IC50 values in the range of 38-90 μM versus Mtb DHFR and minimum inhibitory concentration (MIC) values in the range of 31.5-125 μg/mL. These fragment scaffolds would be useful for anti-tubercular drug design.
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