Pharmacogenic therapies targeting the metal-ion transcriptional regulation machinery in bacteria
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abstract
The subject invention pertains to methods of identifying compounds that bind to a binding pocket on metal ion binding proteins of ArsR/SmtB family and modulate their regulatory activity by increasing the propensity of the protein to remain in a conformationally trapped form such as the metal ion bound conformation or disulfide-linked conformation, DNA bound conformation, or the apo-conformation. The invention provides methods of identifying such compounds using computer software programs. The invention also provides bioassays for identifying such compounds. The invention also provides pharmaceutical compositions containing compounds that modulate metalloregulatory activities of the metal ion binding proteins of ArsR/SmtB family.
