Fh. Ebetino et al., BISPHOSPHONATES - MOLECULAR MODELING, STRUCTURE-ACTIVITY-RELATIONSHIPS AND THE RATIONAL DESIGN OF NEW ANALOGS, Phosphorus, sulfur and silicon and the related elements, 76(1-4), 1993, pp. 411-414
A combination of 2D NMR spectroscopy, x-ray crystallography and molecu
lar mechanics have been used in the structure determination of a confo
rmationally rigid antiresorptive active bisphosphonate. This rigid str
ucture has provided a template from which other conformationally restr
icted actives have been successfully designed.