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Modified benzoxazolone derivative as 18‐ kD a TSPO ligand
Author(s) -
Kumari Neelam,
Chadha Nidhi,
Srivastava Pooja,
Mishra Lokesh Chandra,
Bhagat Sunita,
Mishra Anil K.,
Tiwari Anjani K.
Publication year - 2017
Publication title -
chemical biology and drug design
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.59
H-Index - 77
eISSN - 1747-0285
pISSN - 1747-0277
DOI - 10.1111/cbdd.12971
Subject(s) - translocator protein , chemistry , docking (animal) , ligand (biochemistry) , in vitro , neuroinflammation , stereochemistry , boronic acid , biochemistry , combinatorial chemistry , receptor , biology , inflammation , immunology , medicine , nursing
We have synthesized six new congeners of acetamidobenzoxazolone for Translocator Protein [18 kD a, TSPO ] imaging. The best in vitro binding affinity (10.8 ± 1.2 n m ) for TSPO was found for N ‐methyl‐2‐(5‐(naphthalen‐1‐yl)‐2‐oxobenzo[ d ]oxazol‐3(2 H )‐yl)‐ N ‐phenylacetamide, ( NBMP ). NBMP was synthesised by Suzuki coupling reaction between 2‐(5‐bromo‐2‐oxo‐1,3‐benzoxazol‐3(2 H )‐yl)‐ N ‐phenylacetamide and napthalene‐1‐boronic acid. Computational docking and simulation studies showed not much impact of intersubject variability on binding which is one of the major drawbacks of several TSPO ligands. These findings suggested that NBMP may become a promising marker for visualization of neuroinflammation via TSPO targeting.