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Fragment Discovery for the Design of Nitrogen Heterocycles as Mycobacterium tuberculosis Dihydrofolate Reductase Inhibitors
Author(s) -
Shelke Rupesh U.,
Degani Mariam S.,
Raju Archana,
Ray Mukti Kanta,
Rajan Mysore G. R.
Publication year - 2016
Publication title -
archiv der pharmazie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.468
H-Index - 61
eISSN - 1521-4184
pISSN - 0365-6233
DOI - 10.1002/ardp.201600066
Subject(s) - dihydrofolate reductase , mycobacterium tuberculosis , fragment (logic) , enzyme , tuberculosis , chemistry , reductase , stereochemistry , biology , biochemistry , medicine , pathology , computer science , programming language
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 IC 50 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.