title: Modified benzoxazolone derivative as 18-kDa TSPO ligand.
abstract: We have synthesized six new congeners of acetamidobenzoxazolone for Translocator Protein [18 kDa, TSPO] imaging. The best in vitro binding affinity (10.8 ± 1.2 nm) for TSPO was found for N-methyl-2-(5-(naphthalen-1-yl)-2-oxobenzo[d]oxazol-3(2H)-yl)-N-phenylacetamide, (NBMP). NBMP was synthesised by Suzuki coupling reaction between 2-(5-bromo-2-oxo-1,3-benzoxazol-3(2H)-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.
authors.affiliation: Division of Cyclotron and Radiopharmaceutical Sciences (DCRS), Institute of Nuclear Medicine and Allied Sciences (INMAS), DRDO, New Delhi, India.|Organic Synthesis Research Laboratory, Department of Chemistry, A.R.S.D.College, University of Delhi, University of Delhi, New Delhi, India.
authors.forename: Neelam
authors.initials: N
authors.lastname: Kumari
authors.affiliation: Division of Cyclotron and Radiopharmaceutical Sciences (DCRS), Institute of Nuclear Medicine and Allied Sciences (INMAS), DRDO, New Delhi, India.
authors.forename: Nidhi
authors.initials: N
authors.lastname: Chadha
authors.affiliation: Division of Cyclotron and Radiopharmaceutical Sciences (DCRS), Institute of Nuclear Medicine and Allied Sciences (INMAS), DRDO, New Delhi, India.
authors.forename: Pooja
authors.initials: P
authors.lastname: Srivastava
authors.affiliation: Department of Biological Sciences, Hans Raj College, North Campus, University of Delhi, New Delhi, India.
authors.forename: Lokesh Chandra
authors.initials: LC
authors.lastname: Mishra
authors.affiliation: Organic Synthesis Research Laboratory, Department of Chemistry, A.R.S.D.College, University of Delhi, University of Delhi, New Delhi, India.
authors.forename: Sunita
authors.initials: S
authors.lastname: Bhagat
authors.affiliation: Division of Cyclotron and Radiopharmaceutical Sciences (DCRS), Institute of Nuclear Medicine and Allied Sciences (INMAS), DRDO, New Delhi, India.
authors.forename: Anil K
authors.initials: AK
authors.lastname: Mishra
authors.affiliation: Division of Cyclotron and Radiopharmaceutical Sciences (DCRS), Institute of Nuclear Medicine and Allied Sciences (INMAS), DRDO, New Delhi, India.
authors.forename: Anjani K
authors.identifier: http://orcid.org/0000-0001-6271-3055
authors.initials: AK
authors.lastname: Tiwari
mesh_terms: D000818:Animals; D001583:Benzoxazoles / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D008024:Ligands; D051379:Mice; D062105:Molecular Docking Simulation; D011485:Protein Binding; D018079:Receptors, GABA / Q000737:chemistry / Q000378:metabolism*
chemical_list: D001583:Benzoxazoles; C463819:Bzrp protein, mouse; D008024:Ligands; D018079:Receptors, GABA; C017057:benzoxazolone
keywords: benzoxazolone; microglia activation; neuroinflammation; translocator protein (18kDa, TSPO)