Polymorphic predictions: Understanding the nature of crystalline compounds can be critical in drug development and manufacture

Modern Drug Discovery

Volumn 3, Issue 2, 2000, Pages 53-57

  Knapman, Katriona ^a  

^a Molecular Simulations Inc   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001861494     PISSN: 10998209     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (9)

1. Bernstein, J. Polymorphism in drug design and delivery. Prog. Clin. Biol. Res. 1989, 289, 203-215.
2. Karfunkel, H. R.; Leusen, F.J.J. Practical aspects of predicting possible crystal structures on the basis of molecular information only. Speedup 1992, 6, 43-50.
3. Leusen, F.J.J. Ab Initio Prediction of Possible Crystal Structures. Z. Kristallogr. 1994, 8, 161.
4. Rietveld, H. M. A profile refinement method for nuclear and magnetic structures. J. Appl. Crystallogr. 1969, 2, 65-71.
5. Wiles, D. B.; Young, R. A. A new computer program for Rietveld analysis of X-ray powder diffraction patterns. J. Appl. Crystallogr. 1981, 14, 149.
6. Stanek, J., et al. 4-Amidinoindon-1-one 2′-amidinohydrazone: A new potent and selective inhibitor of S-adenosylmethionine decarboxylase. J. Med. Chem. 1993, 36, 2168.
7. Karfunkel, H. R., et al. Crystal packing calculations and Rietveld refinement in elucidating the crystal structures of two modifications of 4-amidinoindanone guanylhydrazone. Acta Crystallogr. 1996, B52, 555-561.
8. Verwer, P.; Leusen, F.J.J. Computer Simulation To Predict Possible Crystal Polymorphs. In Reviews in Computational Chemistry, Lipkowitz, K. B., Boyd, D. B., Eds.; Wiley-VCH: New York, 1998; Vol. 12, pp 327-365.
9. Payne, R. S., et al. Potential polymorphs of aspirin. J. Computat. Chem. 1999, 20, 262-273.