Current advances in biopharmaceutical informatics: guidelines, impact and challenges in the computational developability assessment of antibody therapeutics.
Current advances in biopharmaceutical informatics: guidelines, impact and challenges in the computational developability assessment of antibody therapeutics.
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DOI：
10.1080/19420862.2021.2020082
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发表时间：
2022-01
期刊：
影响因子：
5.3
通讯作者：
Martin ACR
中科院分区：
文献类型：
--
作者：
Khetan R;Curtis R;Deane CM;Hadsund JT;Kar U;Krawczyk K;Kuroda D;Robinson SA;Sormanni P;Tsumoto K;Warwicker J;Martin ACR
治疗性单克隆抗体及其衍生物是全球生物制药行业临床管道的关键组成部分。抗体序列、结构和生物物理性质的大数据集的可用性越来越多地使得能够开发用于抗体药物候选物的“可开发性评估”的预测模型和计算工具。在此，我们概述了适用于预测可开发性问题（如稳定性、聚集、免疫原性和化学降解）的抗体信息学工具。我们进一步评估的机会和挑战，利用生物制药信息学的药物发现和优化。最后，我们讨论了基于可用于评估抗体稳定性和可制造性的计算机模拟指标的可开发性指南的潜力。
Therapeutic monoclonal antibodies and their derivatives are key components of clinical pipelines in the global biopharmaceutical industry. The availability of large datasets of antibody sequences, structures, and biophysical properties is increasingly enabling the development of predictive models and computational tools for the “developability assessment” of antibody drug candidates. Here, we provide an overview of the antibody informatics tools applicable to the prediction of developability issues such as stability, aggregation, immunogenicity, and chemical degradation. We further evaluate the opportunities and challenges of using biopharmaceutical informatics for drug discovery and optimization. Finally, we discuss the potential of developability guidelines based on in silico metrics that can be used for the assessment of antibody stability and manufacturability.
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影响因子：
8.7
作者：
Corrie BD;Marthandan N;Zimonja B;Jaglale J;Zhou Y;Barr E;Knoetze N;Breden FMW;Christley S;Scott JK;Cowell LG;Breden F
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Breden F
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14.9
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Cheng, J;Randall, AZ;Sweredoski, MJ;Baldi, P
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Baldi, P
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Christley S;Scarborough W;Salinas E;Rounds WH;Toby IT;Fonner JM;Levin MK;Kim M;Mock SA;Jordan C;Ostmeyer J;Buntzman A;Rubelt F;Davila ML;Monson NL;Scheuermann RH;Cowell LG
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Cowell LG
影响因子：
14.9
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Chailyan A;Tramontano A;Marcatili P
通讯作者：
Marcatili P
影响因子：
5.3
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Bailly, Marc;Mieczkowski, Carl;Fayadat-Dilman, Laurence
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Fayadat-Dilman, Laurence