naa a22 4500 510774709 CHVBK 20180411083226.0 cr unu---uuuuu 180411e20130201xx s 000 0 eng 10.1007/s12210-012-0199-8 doi (NATIONALLICENCE)springer-10.1007/s12210-012-0199-8 Bacchi Alessia Dipartimento di Chimica, Università degli Studi di Parma, Viale delle Scienze 17A, 43124, Parma, Italy aut X-ray diffraction as a tool in the path from the design of an active pharmaceutical ingredient to the tablet on the shelf [Elektronische Daten] [Alessia Bacchi] Accurate knowledge of molecular structure is a prerequisite for rational drug design. X-ray diffraction has a paramount importance in providing the required structural information: the structural determination by X-ray diffraction of new drug candidates and intermediates can provide valuable information of new syntheses and parameters for quantitative structure-activity relationships. Macromolecular X-ray crystallography is an important and powerful technique used in the discovery of new medicines. The detailed analysis of crystal structures of protein-ligand complexes allows the study of the specific interactions of a particular drug with its protein target at the atomic level. Most marketed pharmaceuticals consist of molecular crystals. The arrangement of the molecules in a crystal determines its physical properties and greatly influences the processing and formulation of solid pharmaceuticals, as well as key drug properties such as dissolution rate and stability. X-ray diffraction is the main tool to characterize the drugs in solid forms. An example of the use of X-ray diffraction in the development of rifamycins is discussed. Accademia Nazionale dei Lincei, 2012 X-ray diffraction nationallicence Crystallography nationallicence Rifamycins nationallicence Drug-design nationallicence Rendiconti Lincei Springer Milan 24(2013-02-01), 109-114 2037-4631 24<109 2013 24 12210 https://doi.org/10.1007/s12210-012-0199-8 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s12210-012-0199-8 text/html Onlinezugriff via DOI NATIONALLICENCE 100 1- Bacchi Alessia Dipartimento di Chimica, Università degli Studi di Parma, Viale delle Scienze 17A, 43124, Parma, Italy aut NATIONALLICENCE 773 0- Rendiconti Lincei Springer Milan 24(2013-02-01), 109-114 2037-4631 24<109 2013 24 12210 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer