文献类型：期刊文献

英文题名：Prediction and Validation of Monoclonal Antibodies Separation in Aqueous Two-Phase System Using Molecular Dynamic Simulation

作者：Guo, Yibo[1]; Chen, Xi[1]; Wan, Junfen[1]; Cao, Xuejun[1]

机构：[1] State Key Laboratory of Bioreactor Engineering, Department of Bioengineering, East China University of Science and Technology, 130 Meilong Road, Shanghai, 200237, China

年份：2022

外文期刊名：SSRN

收录：EI(收录号：20220411963)

语种：英文

外文关键词：Ethylene - Forecasting - Liquids - Monoclonal antibodies - Recovery - Salts - Sodium sulfate - Solvent extraction

摘要：In order to predict how mAbs partition in 20% ethylene oxide/80% propylene oxide (v/v) random copolymer (EO20PO80)/water aqueous two-phase system (ATPS), a molecular dynamic simulation model was developed using Gromacs and then validated by experiments. The ATPS was applied with seven kinds of salt, including buffer salts and strong dissociation salts that were commonly employed in the purification of proteins. Na2SO4 was shown to have the best effects on lowering EO20PO80 content in the aqueous phase and enhancing recovery. The content of EO20PO80 in the sample solution was decreased to 0.62%±0.25% and the recovery of rituximab increased to 97.88%±0.95% by adding 300 mM Na2SO4 into back extraction ATPS. The viability determined by ELISA was 95.57% at the same time. A strategy for constructing a prediction model for the distribution of mAbs in ATPS was proposed in consideration of this finding. Partition of trastuzumab in ATPS was predicted by the model created using this method and the prediction result was further validated by experiments. The recovery of trastuzumab reached 95.63%±2.86% under the ideal extraction conditions suggested by the prediction model. ? 2022, The Authors. All rights reserved.