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Article

Pyridones as NNRTIs against HIV-1 mutants: 3D-QSAR and protein informatics.

Journal of computer-aided molecular design - 1 Jul 2013

Debnath Utsab, Verma Saroj, Jain Surabhi, Katti Setu B, Prabhakar Yenamandra S

Abstract excerpt

CoMFA and CoMSIA based 3D-QSAR of HIV-1 RT wild and mutant (K103, Y181C, and Y188L) inhibitory activities of 4-benzyl/benzoyl pyridin-2-ones followed by protein informatics of corresponding non-nucleoside inhibitors' binding pockets from pdbs 2BAN, 3MED, 1JKH, and 2YNF were analysed to discover consensus features of the compounds for broad-spectrum activity. The CoMFA/CoMSIA models indicated that compounds with...

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PMID: 23884707
DOI: 10.1007/s10822-013-9667-1

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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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