Design, synthesis and biological evaluation of (E)-3,4-dihydroxystyryl 4-acylaminophenethyl sulfone, sulfoxide derivatives as dual inhibitors of HIV-1 CCR5 and integrase.

Abstract:

:Aiming at the limited effectiveness of current clinical therapeutic effect of AIDS, novel series of compounds bearing (E)-3,4-dihydroxystyryl sulfone (or sulfoxide) and anilide fragments were designed and synthesized as dual inhibitors of HIV-1 CCR5/IN. The biological results indicated that several target compounds showed inhibitory activity against HIV-1 Bal (R5) infection in TZM-bl cells. Besides targeting the chemokine receptor on the host cell surface, they also displayed binding affinities with HIV-1 integrase using the surface plasmon resonance (SPR) binding assays. Molecular docking studies have inferred the possible binding mode of target compounds against integrase. These data demonstrate that the structure of (E)-3,4-dihydroxystyryl sulfone and sulfoxide derivatives have the potential to derive potent dual inhibitors of HIV-1 Integrase and CCR5.

journal_name

Bioorg Med Chem

authors

Sun Y,Xu W,Fan N,Sun X,Ning X,Ma L,Liu J,Wang X

doi

10.1016/j.bmc.2016.12.035

subject

Has Abstract

pub_date

2017-02-01 00:00:00

pages

1076-1084

issue

3

eissn

0968-0896

issn

1464-3391

pii

S0968-0896(16)31442-0

journal_volume

25

pub_type

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