title: Design and synthesis of 2-substituted benzoxazoles as novel PTP1B inhibitors.
abstract: A series of benzoxazole compounds containing oxamic acid were synthesized and screened for the PTP1B inhibition. Compound 31d showed best biochemical potency (Ki) of 6.7 μM. Structure-activity relationship were explained with the help of molecular modeling approach.
authors.affiliation: Aurigene Discovery Technologies Limited, 39-40, KIADB Industrial Area, Phase II, Electronic City, Hosur Road, Bangalore 560 100, India. arun_pc@aurigene.com
authors.forename: Arun P
authors.initials: AP
authors.lastname: Chandrasekharappa
authors.forename: Sangamesh E
authors.initials: SE
authors.lastname: Badiger
authors.forename: Pramod K
authors.initials: PK
authors.lastname: Dubey
authors.forename: Sunil K
authors.initials: SK
authors.lastname: Panigrahi
authors.forename: Sekhar Reddy V V V
authors.initials: SR
authors.lastname: Manukonda
mesh_terms: D000818:Animals; D001583:Benzoxazoles / Q000138:chemical synthesis / Q000737:chemistry* / Q000378:metabolism; D001665:Binding Sites; D015195:Drug Design; D004791:Enzyme Inhibitors / Q000138:chemical synthesis / Q000737:chemistry / Q000378:metabolism; D051379:Mice; D062105:Molecular Docking Simulation; D010072:Oxamic Acid / Q000737:chemistry; D011485:Protein Binding; D017434:Protein Structure, Tertiary; D054562:Protein Tyrosine Phosphatase, Non-Receptor Type 1 / Q000037:antagonists & inhibitors* / Q000378:metabolism; D013329:Structure-Activity Relationship
chemical_list: D001583:Benzoxazoles; D004791:Enzyme Inhibitors; D054562:Protein Tyrosine Phosphatase, Non-Receptor Type 1; D010072:Oxamic Acid