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Article

From in silico hit to long-acting late-stage preclinical candidate to combat HIV-1 infection

26 Dec 2017

Abstract excerpt

Significance Nonnucleoside reverse transcriptase inhibitors (NNRTIs) are essential components of highly active antiretroviral therapy; however, concerns about poor pharmacological properties, dose restriction because of toxicity, and drug resistance have limited treatment options. Our computational and structure-guided design studies for lead optimization have transformed a 5 µM virtual screening hit into a class...

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PMID: 29279368
DOI: 10.1073/pnas.1717932115

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