寡聚核苷酸对茶碱晶型的调节作用

摘要

有机晶体多晶型调控的规律研究对于医药、燃料、农药等行业具有重要意义。茶碱是一种甲基嘌呤类似物，具有I、II、III、IV和M 5种多晶型。由于腺嘌呤核苷与茶碱结构具有相似性，研究了腺嘌呤核苷组成的寡聚核苷酸对茶碱溶液结晶过程的影响。结果表明采用寡聚核苷酸d（A₁₀）、d（A₂₀）为添加剂，能够显著影响乙醇-水体系降温结晶过程中茶碱多晶型的形成，促进M晶型生成。分子模拟计算揭示了腺嘌呤碱基组成的核苷酸片段与茶碱M晶型重要晶面之间的相互作用能最强，正是这种强相互作用促进了茶碱结晶过程中M晶型的生长。

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	沈珏
	郑舒丹
	刘涛
	李韡
	付雁

关键词：茶碱多晶型结晶寡聚核苷酸

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.

Keywords： theophylline； polymorphism； crystallization； oligonucleotide

Received 2015-12-04;

Fund:

国家自然科学基金项目（21106094）。

Corresponding Authors: 付雁,E-mail:lwxiwang@139.com。 Email: lwxiwang@139.com

About author: 沈珏(1989-),女,硕士研究生,从事有机晶体多晶型调控研究。

引用本文:

沈珏, 郑舒丹, 刘涛, 李韡, 付雁.寡聚核苷酸对茶碱晶型的调节作用[J]. 化学工业与工程, 2017,34(4): 91-95

Shen Jue, Zheng Shudan, Liu Tao, Li Wei, Fu Yan.Regulating Effects of Oligonucleotides on Polymorphic Theophylline Crystals[J]. Chemcial Industry and Engineering, 2017,34(4): 91-95

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