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J Med Chem ; 57(20): 8608-21, 2014 Oct 23.
Article in English | MEDLINE | ID: mdl-25244572

ABSTRACT

Venezuelan equine encephalitis virus (VEEV) is an emerging pathogenic alphavirus that can cause significant disease in humans. Given the absence of therapeutic options available and the significance of VEEV as a weaponized agent, an optimization effort was initiated around a quinazolinone screening hit 1 with promising cellular antiviral activity (EC50 = 0.8 µM), limited cytotoxic liability (CC50 > 50 µM), and modest in vitro efficacy in reducing viral progeny (63-fold at 5 µM). Scaffold optimization revealed a novel rearrangement affording amidines, specifically compound 45, which was found to potently inhibit several VEEV strains in the low nanomolar range without cytotoxicity (EC50 = 0.02-0.04 µM, CC50 > 50 µM) while limiting in vitro viral replication (EC90 = 0.17 µM). Brain exposure was observed in mice with 45. Significant protection was observed in VEEV-infected mice at 5 mg kg(-1) day(-1) and viral replication appeared to be inhibited through interference of viral nonstructural proteins.


Subject(s)
Antiviral Agents/chemistry , Antiviral Agents/pharmacology , Benzamides/pharmacology , Encephalitis Virus, Venezuelan Equine/drug effects , Piperazines/pharmacology , Animals , Benzamides/chemistry , Drug Evaluation, Preclinical/methods , Encephalomyelitis, Venezuelan Equine/drug therapy , Heterocyclic Compounds, 2-Ring/chemistry , Mice, Inbred C3H , Mice, Inbred C57BL , Piperazines/chemistry , Quinazolinones/chemistry , Small Molecule Libraries/chemistry , Small Molecule Libraries/pharmacology , Structure-Activity Relationship , Virus Replication/drug effects
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