Structure-Guided Optimization of HIV Integrase Strand Transfer Inhibitors
File(s)acs.jmedchem.7b00596(1).pdf (2.23 MB)
Accepted version
Author(s)
Type
Journal Article
Abstract
Integrase mutations can reduce the effectiveness of the first-generation FDA-approved integrase strand transfer inhibitors (INSTIs), raltegravir (RAL) and elvitegravir (EVG). The second-generation agent, dolutegravir (DTG), has enjoyed considerable clinical success; however, resistance-causing mutations that diminish the efficacy of DTG have appeared. Our current findings support and extend the substrate envelope concept that broadly effective INSTIs can be designed by filling the envelope defined by the DNA substrates. Previously, we explored 1-hydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamides as an INSTI scaffold, making a limited set of derivatives, and concluded that broadly effective INSTIs can be developed using this scaffold. Herein, we report an extended investigation of 6-substituents as well the first examples of 7-substituted analogues of this scaffold. While 7-substituents are not well-tolerated, we have identified novel substituents at the 6-position that are highly effective, with the best compound (6p) retaining better efficacy against a broad panel of known INSTI resistant mutants than any analogues we have previously described.
Date Issued
2017-07-24
Date Acceptance
2017-07-01
Citation
JOURNAL OF MEDICINAL CHEMISTRY, 2017, 60 (17), pp.7315-7332
ISSN
0022-2623
Publisher
American Chemical Society
Start Page
7315
End Page
7332
Journal / Book Title
JOURNAL OF MEDICINAL CHEMISTRY
Volume
60
Issue
17
Copyright Statement
© 2017 American Chemical Society. This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Medicinal Chemistry, after peer review and technical editing by the publisher. To access the final edited and published work see https://dx.doi.org/10.1021/acs.jmedchem.7b00596
Identifier
http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000411171700008&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=1ba7043ffcc86c417c072aa74d649202
Subjects
Science & Technology
Life Sciences & Biomedicine
Chemistry, Medicinal
Pharmacology & Pharmacy
DRUG-RESISTANCE
CROSS-RESISTANCE
DNA INTEGRATION
RALTEGRAVIR
SUSCEPTIBILITY
DOLUTEGRAVIR
MUTATIONS
INFECTION
MUTANTS
POTENCY
Cell Line
Crystallography, X-Ray
Drug Resistance, Viral
HIV Infections
HIV Integrase
HIV Integrase Inhibitors
HIV-1
Humans
Models, Molecular
Mutation
Naphthyridines
Virus Replication
0304 Medicinal And Biomolecular Chemistry
1115 Pharmacology And Pharmaceutical Sciences
0305 Organic Chemistry
Medicinal & Biomolecular Chemistry
Publication Status
Published