Laboratory of Dynamics of Macromolecular Assembly, National Institute of Biomedical Imaging and Bioengineering, National Institutes of Health, Bethesda, Maryland, United States of America.
PLoS Comput Biol. 2023 Sep 5;19(9):e1011454. doi: 10.1371/journal.pcbi.1011454. eCollection 2023 Sep.
Sedimentation velocity analytical ultracentrifugation (SV-AUC) is an indispensable tool for the study of particle size distributions in biopharmaceutical industry, for example, to characterize protein therapeutics and vaccine products. In particular, the diffusion-deconvoluted sedimentation coefficient distribution analysis, in the software SEDFIT, has found widespread applications due to its relatively high resolution and sensitivity. However, a lack of suitable software compatible with Good Manufacturing Practices (GMP) has hampered the use of SV-AUC in this regulatory environment. To address this, we have created an interface for SEDFIT so that it can serve as an automatically spawned module with controlled data input through command line parameters and output of key results in files. The interface can be integrated in custom GMP compatible software, and in scripts that provide documentation and meta-analyses for replicate or related samples, for example, to streamline analysis of large families of experimental data, such as binding isotherm analyses in the study of protein interactions. To test and demonstrate this approach we provide a MATLAB script mlSEDFIT.
沉降速度分析超速离心（SV-AUC）是生物制药行业研究颗粒尺寸分布的不可或缺的工具，例如，用于表征蛋白质治疗药物和疫苗产品。特别是，在 SEDFIT 软件中，经过扩散解卷积的沉降系数分布分析由于其相对较高的分辨率和灵敏度而得到了广泛的应用。然而，由于缺乏与良好生产规范（GMP）兼容的合适软件，SV-AUC 在这种监管环境中的使用受到了阻碍。为了解决这个问题，我们创建了一个 SEDFIT 接口，以便它可以作为一个自动生成的模块，通过命令行参数控制数据输入，并将关键结果输出到文件中。该接口可以集成到定制的 GMP 兼容软件中，也可以集成到为重复或相关样本提供文档和元分析的脚本中，例如，用于简化对大量实验数据家族的分析，例如在蛋白质相互作用研究中的结合等温线分析。为了测试和演示这种方法，我们提供了一个 MATLAB 脚本 mlSEDFIT。
