Abstract:
:Two diazabicyclo analogues of maraviroc, in which the azabicyclooctane moiety is replaced by diazabicyclooctane or diazabicyclononane, were synthesized and tested, through a viral neutralization assay, on a panel of six pseudoviruses. The diazabicyclooctane derivative maintained a significant infectivity reduction power, whereas the diazabicyclononane was less effective. Biological data were rationalized through a computational study that allowed the conformational preferences of the compounds to be determined and a correlation between the inhibitory activity, the bridge length of the bicycle, and the rotational barrier around dihedral angle τ7 to be hypothesized. A high-field NMR analysis supported the modeling results.
journal_name
Medchemcommjournal_title
MedChemCommauthors
Legnani L,Colombo D,Venuti A,Pastori C,Lopalco L,Toma L,Mori M,Grazioso G,Villa Sdoi
10.1039/c6md00575fsubject
Has Abstractpub_date
2016-12-16 00:00:00pages
422-433issue
2eissn
2040-2503issn
2040-2511pii
c6md00575fjournal_volume
8pub_type
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