Host-guest chemistry of tolbutamide.
The molecular recognition features of tolbutamide with four synthetic hosts have been studied by means of NMR titrations, NOESY experiments and Monte Carlo (MC) conformational search. The interaction strength and the most probable structure reveal new insights on the recognition phenomena of this urea derivative in comparison with close related compounds.
Herranz
Fernando
F
Departamento de Química Orgánica y Bio-Orgánica, Universidad Nacional de Educación a Distancia (UNED), Facultad de Ciencias, Senda del Rey 9, E-28040 Madrid, Spain. fherranz@cbm.uam.es
Santa María
M Dolores
MD
Claramunt
Rosa M
RM
D001665:Binding Sites; D007004:Hypoglycemic Agents / Q000737:chemistry / Q000378:metabolism; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D008968:Molecular Conformation; D009010:Monte Carlo Method; D014044:Tolbutamide / Q000737:chemistry* / Q000378:metabolism
D007004:Hypoglycemic Agents; D014044:Tolbutamide