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Article

QSAR for non-nucleoside inhibitors of HIV-1 reverse transcriptase.

Bioorganic & medicinal chemistry - 1 Sept 2006

Duchowicz Pablo R, Fernández Michael, Caballero Julio, Castro Eduardo A, Fernández Francisco M

Abstract excerpt

By means of QSAR algorithms we model the potency pIC(90) [mM] of 154 non-nucleoside reverse transcriptase inhibitors (NNRTI) of the wild-type HIV-1 virus, considered as the second generation analogues of Efavirenz. In addition, 56 inhibitors of the K-103N viral mutant form are also investigated. A pool of 1494 theoretical molecular descriptors provided mainly by the Dragon 5 software is explored by several...

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Identifiers

PMID: 16766190
DOI: 10.1016/j.bmc.2006.05.027

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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