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Article

Combined approach using ligand efficiency, cross-docking, and antitarget hits for wild-type and drug-resistant Y181C HIV-1 reverse transcriptase.

Journal of chemical information and modeling - 24 Oct 2011

García-Sosa Alfonso T, Sild Sulev, Takkis Kalev, Maran Uko

Abstract excerpt

New hits against HIV-1 wild-type and Y181C drug-resistant reverse transcriptases were predicted taking into account the possibility of some of the known metabolism interactions. In silico hits against a set of antitargets (i.e., proteins or nucleic acids that are off-targets from the desired pharmaceutical target objective) are used to predict a simple, visual measure of possible interactions for the ligands,...

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Identifiers

PMID: 21875140
DOI: 10.1021/ci200203h

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 5 Sept 2026. Manifest publication-graph-cohort-2026-09-05.1.

Source receipt: pubmed, retrieved 5 Sept 2026.

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