文献类型：期刊文献

英文题名：Multicomponent Pharmaceutical Adducts of Azoxystrobin: Physicochemical Properties, Thermodynamic, and Molecular Modeling Study

作者：Shi, Zhi-Ping[1];Ren, Guo-Bin[2,3,4];Qi, Ming-Hui[2,3,4];Li, Zhong[1];Xu, Xiao-Yong[1]

机构：[1]East China Univ Sci & Technol, Sch Pharm, Shanghai Key Lab Chem Biol, 130 Meilong Rd, Shanghai 200237, Peoples R China;[2]East China Univ Sci & Technol, State Key Lab Bioreactor Engn, 130 Meilong Rd, Shanghai 200237, Peoples R China;[3]East China Univ Sci & Technol, Engn Res Ctr Pharmaceut Proc Chem, Minist Educ, 130 Meilong Rd, Shanghai 200237, Peoples R China;[4]East China Univ Sci & Technol, Lab Pharmaceut Crystal Engn & Technol, Sch Pharm, 130 Meilong Rd, Shanghai 200237, Peoples R China

年份：2021

卷号：56

期号：11

外文期刊名：CRYSTAL RESEARCH AND TECHNOLOGY

收录：;EI(收录号：20213510834473);WOS:【SCI-EXPANDED(收录号:WOS:000690864300001)】；

基金：The authors acknowledge support from the National Key Research Program of China (No. 2017YFD0200505), the National Natural Science Foundation of China (Nos. 21706064 and 21776073), and the Fundamental Research Funds for the Central Universities (No. 222201814049).

语种：英文

外文关键词：azoxystrobin; eutectics; interaction energy; molecular dynamics simulation; solubility

摘要：Eutectics have invoked enormous interests as an inexpensive and greener excipient with promising applications. In this study, eutectics of azoxystrobin (AZO) with fludioxonil (FDO), adipic acid (AA), succinimide (SIM), and 2-imidazolidinone (IMD) are prepared by rotary evaporation in order to improve the solubility and dissolution rate of AZO. Differential scanning calorimetry and powder X-ray diffraction are used to distinguish eutectics. Interestingly, AZO forms form 2 at first and then forms eutectic at stoichiometric ratios of 7:3, 7:3/8:2, 7:3, and 6:4 with FDO, AA, IMD, and SIM, respectively. Compared with AZO, the solubility and dissolution rate of these four eutectics in water are improved. The molecular dynamics simulations between AZO and coformer molecules indicate that homologous hydrogen bonds are formed of conformer-coformer, which may lead to the formation of eutectic regions. Meanwhile, the interaction energies between AZO and coformers in these possible system boxes of the four eutectics are calculated. The results indicate that the interaction energy in AZO-FDO is greater than that in AZO-AA, AZO-SIM, and AZO-IMD.