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Chemcial Industry and Engineering 2017, Vol. 34 Issue (4) :91-95    DOI: 10.13353/j.issn.1004.9533.20151118
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Regulating Effects of Oligonucleotides on Polymorphic Theophylline Crystals
Shen Jue, Zheng Shudan, Liu Tao, Li Wei, Fu Yan
School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, China

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Abstract 

It is fundamental to study the principles on how to adjust the polymorphic crystals of organic compounds in the fields of pharmaceutics, fuels and pesticides. Theophylline is a kind of methyl purine analogues, and has polymorphic crystals including the form I, II, III, IV and M. Taking into account the structural similarity between adenosine and theophylline, we studied the effect of oligonucleotides containing adenosines on the solution crystallization process of theophylline. The results indicate that adopting the oligonucleotide of d(A10) or d(A20) as the additive the crystallization process of theophylline ethanol-water solution is greatly affected to facilitate the formation of M form. Molecular modeling calculations disclose that there are strong interactions between the nucleotide segment containing adenosines and crystallographic important faces of theophylline, which in turn facilitates the growth of M form of theophylline during the crystallization.

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Articles by authors
Shen Jue
Zheng Shudan
Liu Tao
Li Wei
Fu Yan
Keywordstheophylline;   polymorphism;   crystallization;   oligonucleotide     
Received 2015-12-04;
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Shen Jue, Zheng Shudan, Liu Tao, Li Wei, Fu Yan.Regulating Effects of Oligonucleotides on Polymorphic Theophylline Crystals[J]  Chemcial Industry and Engineering, 2017,V34(4): 91-95
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