计算机辅助分子和工艺设计方法在推进可持续制药制造中的挑战和机遇

IF 6.8 2区工程技术 Q1 BIOTECHNOLOGY & APPLIED MICROBIOLOGY

Current Opinion in Chemical Engineering Pub Date : 2025-01-11 DOI:10.1016/j.coche.2024.101073

Claire S Adjiman, Amparo Galindo

{"title":"计算机辅助分子和工艺设计方法在推进可持续制药制造中的挑战和机遇","authors":"Claire S Adjiman, Amparo Galindo","doi":"10.1016/j.coche.2024.101073","DOIUrl":null,"url":null,"abstract":"<div><div>Pharmaceutical manufacturing gives rise to a large amount of waste per kilogram of active ingredient, a growing concern with the trend towards larger therapeutic molecules. Achieving better sustainability requires new approaches to process development. We explore the role that computer-aided molecular (and process) design (CAMPD) methods can play, highlighting the value of an end-to-end design mindset that can enable a more holistic assessment of sustainability. We discuss the challenges that must be overcome to deploy such an approach, identifying new structure-property models and the integration of CAMPD with process synthesis and computer-aided synthesis planning as possible research directions.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"47 ","pages":"Article 101073"},"PeriodicalIF":6.8000,"publicationDate":"2025-01-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Challenges and opportunities for computer-aided molecular and process design approaches in advancing sustainable pharmaceutical manufacturing\",\"authors\":\"Claire S Adjiman, Amparo Galindo\",\"doi\":\"10.1016/j.coche.2024.101073\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Pharmaceutical manufacturing gives rise to a large amount of waste per kilogram of active ingredient, a growing concern with the trend towards larger therapeutic molecules. Achieving better sustainability requires new approaches to process development. We explore the role that computer-aided molecular (and process) design (CAMPD) methods can play, highlighting the value of an end-to-end design mindset that can enable a more holistic assessment of sustainability. We discuss the challenges that must be overcome to deploy such an approach, identifying new structure-property models and the integration of CAMPD with process synthesis and computer-aided synthesis planning as possible research directions.</div></div>\",\"PeriodicalId\":292,\"journal\":{\"name\":\"Current Opinion in Chemical Engineering\",\"volume\":\"47 \",\"pages\":\"Article 101073\"},\"PeriodicalIF\":6.8000,\"publicationDate\":\"2025-01-11\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Current Opinion in Chemical Engineering\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2211339824000741\",\"RegionNum\":2,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"BIOTECHNOLOGY & APPLIED MICROBIOLOGY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Current Opinion in Chemical Engineering","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2211339824000741","RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"BIOTECHNOLOGY & APPLIED MICROBIOLOGY","Score":null,"Total":0}

引用次数: 0

摘要

制药生产每公斤活性成分产生大量废物，随着治疗分子越来越大的趋势，这一问题日益受到关注。实现更好的可持续性需要过程开发的新方法。我们探讨了计算机辅助分子（和过程）设计（CAMPD）方法可以发挥的作用，强调了端到端设计思维模式的价值，这种思维模式可以对可持续性进行更全面的评估。我们讨论了部署这种方法必须克服的挑战，确定了新的结构-性质模型，并将CAMPD与工艺合成和计算机辅助合成规划相结合作为可能的研究方向。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

查看原文本刊更多论文

Challenges and opportunities for computer-aided molecular and process design approaches in advancing sustainable pharmaceutical manufacturing

Pharmaceutical manufacturing gives rise to a large amount of waste per kilogram of active ingredient, a growing concern with the trend towards larger therapeutic molecules. Achieving better sustainability requires new approaches to process development. We explore the role that computer-aided molecular (and process) design (CAMPD) methods can play, highlighting the value of an end-to-end design mindset that can enable a more holistic assessment of sustainability. We discuss the challenges that must be overcome to deploy such an approach, identifying new structure-property models and the integration of CAMPD with process synthesis and computer-aided synthesis planning as possible research directions.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

Current Opinion in Chemical Engineering BIOTECHNOLOGY & APPLIED MICROBIOLOGYENGINE-ENGINEERING, CHEMICAL

CiteScore

12.80

自引率

3.00%

发文量

114

期刊介绍： Current Opinion in Chemical Engineering is devoted to bringing forth short and focused review articles written by experts on current advances in different areas of chemical engineering. Only invited review articles will be published. The goals of each review article in Current Opinion in Chemical Engineering are: 1. To acquaint the reader/researcher with the most important recent papers in the given topic. 2. To provide the reader with the views/opinions of the expert in each topic. The reviews are short (about 2500 words or 5-10 printed pages with figures) and serve as an invaluable source of information for researchers, teachers, professionals and students. The reviews also aim to stimulate exchange of ideas among experts. Themed sections: Each review will focus on particular aspects of one of the following themed sections of chemical engineering: 1. Nanotechnology 2. Energy and environmental engineering 3. Biotechnology and bioprocess engineering 4. Biological engineering (covering tissue engineering, regenerative medicine, drug delivery) 5. Separation engineering (covering membrane technologies, adsorbents, desalination, distillation etc.) 6. Materials engineering (covering biomaterials, inorganic especially ceramic materials, nanostructured materials). 7. Process systems engineering 8. Reaction engineering and catalysis.