<br>使用环保超临界二氧化碳增加药物溶解度的最新进展：机器学习的角度,Frontiers in Medicine

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使用环保超临界二氧化碳增加药物溶解度的最新进展：机器学习的角度
Frontiers in Medicine ( IF 3.1 ) Pub Date : 2024-09-02 , DOI: 10.3389/fmed.2024.1467289
Jawaher Abdullah Alamoudi ₁

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治疗药物的生物利用度不足通常是由于其不可接受的溶解度和溶出速率造成的，这对制药公司来说是一个无可争议的运营挑战，因为它对治疗效果产生不利影响。近几十年来，超临界流体（SCF）（主要是SCCO2）因其具有低易燃性、可用性、高性能、环保等优点，作为有毒和对环境有害的有机溶剂的有前景的替代品，引起了许多科学家的关注。操作友好、安全/简单。如今，由于实验研究的成本高昂且浪费时间，应用不同的机器学习（ML）作为一种通用、稳健和准确的方法来预测溶解度和生物利用度等不同重要参数已受到极大关注。本文的主要目标是回顾不同基于 ML 的工具在使用 SCCO2 预测药物溶解度/生物利用度方面的作用。此外，还全面讨论了溶解度因子在制药工业中的重要性以及增加难溶性药物中该参数的量的不同可能技术。最后，讨论了 SCCO2 在改善药物纳米晶体制造工艺方面的效率。

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Recent advancements toward the incremsent of drug solubility using environmentally-friendly supercritical CO2: a machine learning perspective

Inadequate bioavailability of therapeutic drugs, which is often the consequence of their unacceptable solubility and dissolution rates, is an indisputable operational challenge of pharmaceutical companies due to its detrimental effect on the therapeutic efficacy. Over the recent decades, application of supercritical fluids (SCFs) (mainly SCCO2) has attracted the attentions of many scientists as promising alternative of toxic and environmentally-hazardous organic solvents due to possessing positive advantages like low flammability, availability, high performance, eco-friendliness and safety/simplicity of operation. Nowadays, application of different machine learning (ML) as a versatile, robust and accurate approach for the prediction of different momentous parameters like solubility and bioavailability has been of great attentions due to the non-affordability and time-wasting nature of experimental investigations. The prominent goal of this article is to review the role of different ML-based tools for the prediction of solubility/bioavailability of drugs using SCCO2. Moreover, the importance of solubility factor in the pharmaceutical industry and different possible techniques for increasing the amount of this parameter in poorly-soluble drugs are comprehensively discussed. At the end, the efficiency of SCCO2 for improving the manufacturing process of drug nanocrystals is aimed to be discussed.

更新日期：2024-09-02

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