IUCR - 2017: The 24th Congress & General Assembly of the International Union of Crystallography
With a cutting edge programme with 3 plenaries, 40 keynotes, 119 microsymposia, regular and e-posters, commercial exhibits, satellite meetings, workshops and official meetings of the IUCR this will be a state of the art international meeting set in the unique ambience of India.
In the midst of this major event in the field ADDoPT will be represented by two speakers. Dr. Andrew Maloney of the Cambridge Crystallographic Data Centre will be posing - and hopefully answering - the question Can predicted solid form landscapes provide insight into structure-property correlations? by outlining CCDC's development of approaches to predict the properties of drug molecules based on novel analyses of their crystal structures.
While application of these methods offers valuable insights into the potential downstream behaviour of drug candidates during formulation, when applied across a range of plausible crystal structures such tools can provide an unprecedented perspective on the characteristic behaviour of a molecule. More specific questions can be envisaged, such as Will a drug always form poor tablets or is there an as yet undiscovered packing arrangement that has the desired properties to compress well? Interrogating the entire solid form landscape may provide answers to such questions.
Meanwhile, in a presentation entitled The Molecular Conformation, Lattice Stability and Polymorphism of Ritonavir Crystallised from Solution Leeds University's Dr. Ian Rosbottom will be discussing experimental observations of the nucleation behaviour of the anti-viral drug Ritonavir, set within the context of how molecular conformation, crystal chemistry and lattice stability influence the crystallisation of the drug. Ritonavir's unusual polymorphic behaviour, was associated with a temporary market withdrawal in the late 1990's when a previously unreported polymorph precipitated from an ethanol gel formulation.