Abstract:
:Herein we describe the synthesis and biological evaluation of a series of novel benzothiazoles based on a diaryl urea scaffold previously reported in some allosteric chemokine receptor 2 (CXCR2) inhibitors. From a library of 41 new compounds, 17 showed significant inhibition of CXCR2, with IC50 values less than 10 μm and selectivity over CXCR4. Our ADMET simulations suggest favorable drug-like properties for the active compounds. Importantly, we developed a predictive model that can distinguish active from inactive compounds; this will serve as a valuable tool to guide the design of optimized compounds to be evaluated in preclinical models.
journal_name
ChemMedChemjournal_title
ChemMedChemauthors
Mehanna WE,Lu T,Debnath B,Lasheen DS,Serya RAT,Abouzid KA,Neamati Ndoi
10.1002/cmdc.201700229subject
Has Abstractpub_date
2017-07-06 00:00:00pages
1045-1054issue
13eissn
1860-7179issn
1860-7187journal_volume
12pub_type
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