Structure-based virtual screening as a tool for the identification of novel inhibitors against Mycobacterium tuberculosis 3-dehydroquinate dehydratase
Dehydroquinate dehydratase (DHQase), the third enzyme of the shikimate pathway,
catalyzes the reversible reaction of 3-dehydroquinate into 3-dehydroshikimate. The aim of
the present study was to identify new drug-like molecules as inhibitors for Mycobacterium
tuberculosis DHQase employing structure-based pharmacophore modeling technique using
an in house database consisting of about 2500 small molecules. Further the pharmacophore
models were validated using enrichment calculations, and finally three models were …
catalyzes the reversible reaction of 3-dehydroquinate into 3-dehydroshikimate. The aim of
the present study was to identify new drug-like molecules as inhibitors for Mycobacterium
tuberculosis DHQase employing structure-based pharmacophore modeling technique using
an in house database consisting of about 2500 small molecules. Further the pharmacophore
models were validated using enrichment calculations, and finally three models were …
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