Abstract
Molecular modeling studies led to the rational discovery of N(1)-arylsulfonyl-1,3-dihydro-2H-benzimidazol-2-one as a novel template for the design of new non-nucleoside reverse transcriptase inhibitors (NNRTIs) that are active against wild-type and mutant strains of HIV-1. It is worth noting that compound 3 proved to have antiretroviral activity similar to that of efavirenz and greater than that of nevirapine, two of the three NNRTIs currently available in antiretroviral therapy.
Publication types
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Research Support, Non-U.S. Gov't
MeSH terms
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Acquired Immunodeficiency Syndrome / drug therapy*
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Alkynes
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Anti-Retroviral Agents / pharmacology*
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Benzoxazines / pharmacology
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Cell Line
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Chemistry, Pharmaceutical / methods*
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Cyclopropanes
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Drug Design
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Enzyme Inhibitors / pharmacology
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HIV-1 / genetics*
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Humans
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Inhibitory Concentration 50
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Models, Molecular
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Molecular Conformation
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Mutation*
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Nevirapine / pharmacology
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Reverse Transcriptase Inhibitors / chemical synthesis*
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Reverse Transcriptase Inhibitors / chemistry
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Reverse Transcriptase Inhibitors / pharmacology
Substances
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Alkynes
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Anti-Retroviral Agents
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Benzoxazines
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Cyclopropanes
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Enzyme Inhibitors
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Reverse Transcriptase Inhibitors
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Nevirapine
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efavirenz