title: Structure-activity relationships of benzothiazole GPR35 antagonists.
abstract: The first structure-activity relationships for a benzothiazole scaffold acting as an antagonist at GPR35 is presented. Analogues were designed based on a lead compound that was previously determined to have selective activity as a GPR35 antagonist. The synthetic route was modular in nature to independently explore the role of the middle and both ends of the scaffold. The activities of the analogues illustrate the importance of all three segments of the compound.
authors.affiliation: Department of Chemistry and Biochemistry, Natural Products and Drug Discovery Center, University of North Carolina at Greensboro, Greensboro, NC 27402, United States.
authors.forename: Manahil M
authors.initials: MM
authors.lastname: Abdalhameed
authors.affiliation: Department of Anatomy and Cell Biology and Center for Substance Abuse Research, Temple University, Philadelphia, PA 19140, United States.
authors.forename: Pingwei
authors.initials: P
authors.lastname: Zhao
authors.affiliation: Department of Chemistry and Biochemistry, Natural Products and Drug Discovery Center, University of North Carolina at Greensboro, Greensboro, NC 27402, United States.
authors.forename: Dow P
authors.initials: DP
authors.lastname: Hurst
authors.affiliation: Department of Chemistry and Biochemistry, Natural Products and Drug Discovery Center, University of North Carolina at Greensboro, Greensboro, NC 27402, United States. Electronic address: phreggio@uncg.edu.
authors.forename: Patricia H
authors.initials: PH
authors.lastname: Reggio
authors.affiliation: Department of Anatomy and Cell Biology and Center for Substance Abuse Research, Temple University, Philadelphia, PA 19140, United States. Electronic address: mabood@temple.edu.
authors.forename: Mary E
authors.initials: ME
authors.lastname: Abood
authors.affiliation: Department of Chemistry and Biochemistry, Natural Products and Drug Discovery Center, University of North Carolina at Greensboro, Greensboro, NC 27402, United States. Electronic address: mpcroatt@uncg.edu.
authors.forename: Mitchell P
authors.initials: MP
authors.lastname: Croatt
mesh_terms: D052160:Benzothiazoles / Q000138:chemical synthesis / Q000737:chemistry* / Q000378:metabolism; D045744:Cell Line, Tumor; D006801:Humans; D020128:Inhibitory Concentration 50; D011485:Protein Binding; D043562:Receptors, G-Protein-Coupled / Q000037:antagonists & inhibitors* / Q000235:genetics / Q000378:metabolism; D013329:Structure-Activity Relationship
chemical_list: D052160:Benzothiazoles; C111379:GPR35 protein, human; D043562:Receptors, G-Protein-Coupled
keywords: Antagonist; Benzothiazole; G protein-coupled receptor; GPR35; SAR