title: Reinvestigation of the Branimycin Stereochemistry at Position 17-C.
abstract: A conformational study of branimycin was performed using single-crystal X-ray crystallography to characterize the solid-state form, while a combination of NMR spectroscopy and molecular modeling was employed to gain information about the solution structure. Comparison of the crystal structure with its solution counterpart showed no significant differences in conformation, confirming the relative rigidity of the tricyclic system. However, these experiments revealed that the formerly proposed stereochemistry of branimycin at 17-C should be revised.
authors: Fidelta, Ltd., Prilaz baruna Filipovića 29, 10000 Zagreb, Croatia.
authors: Ana
authors: A
authors: Čikoš
authors: Galapagos SASU, Parc Biocitech, 102 Avenue Gaston Roussel, 93230 Romainville, France.
authors: Nicolas
authors: N
authors: Triballeau
authors: BioFocus DPI, Ltd., Chesterford Research Park, Saffron Walden CB10 1XL, United Kingdom.
authors: Paul A
authors: PA
authors: Hubbard
authors: Fidelta, Ltd., Prilaz baruna Filipovića 29, 10000 Zagreb, Croatia.
authors: Dinko
authors: D
authors: Žiher
authors: Galapagos NV, Industriepark Mechelen Noord, Generaal De Wittelaan L11 A3, 2800 Mechelen, Belgium.
authors: Pieter F W
authors: PF
authors: Stouten
authors: Galapagos NV, Industriepark Mechelen Noord, Generaal De Wittelaan L11 A3, 2800 Mechelen, Belgium.
authors: Julien G P-O
authors: JG
authors: Doyon
authors: Galapagos NV, Industriepark Mechelen Noord, Generaal De Wittelaan L11 A3, 2800 Mechelen, Belgium.
authors: Tiny
authors: T
authors: Deschrijver
authors: Université de Namur ASBL , Rue de Bruxelles 61, 5000 Namur, Belgium.
authors: Johan
authors: J
authors: Wouters
authors: Galapagos SASU, Parc Biocitech, 102 Avenue Gaston Roussel, 93230 Romainville, France.
authors: Renaud H M
authors: RH
authors: Lépine
authors: Galapagos SASU, Parc Biocitech, 102 Avenue Gaston Roussel, 93230 Romainville, France.
authors: Laurent
authors: L
authors: Saniere
mesh_terms: D018360:Crystallography, X-Ray; D018942:Macrolides / Q000737:chemistry*; D008968:Molecular Conformation; D015394:Molecular Structure; D019906:Nuclear Magnetic Resonance, Biomolecular; D013237:Stereoisomerism
chemical_list: D018942:Macrolides; C516575:branimycin