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Article

Induced-fit docking approach provides insight into the binding mode and mechanism of action of HIV-1 integrase inhibitors.

ChemMedChem - 1 Sept 2009

Barreca Maria Letizia, Iraci Nunzio, De Luca Laura, Chimirri Alba

Abstract excerpt

A three-dimensional model of a complex between HIV-1 integrase (IN), viral DNA, and metal ions that we recently built was used as a target for a docking method (induced-fit docking, IFD) that accurately predicts ligand binding modes and concomitant structural changes in the receptor. Six different well-known integrase strand transfer inhibitors (INSTIs): L-708,906, L-731,988, S-1360, L-870,810, raltegravir, and...

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Identifiers

PMID: 19544345
DOI: 10.1002/cmdc.200900166

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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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