Abd-Algaleel Shaymaa A, Abdel-Bar Hend M, Metwally Abdelkader A, Hathout Rania M
Department of Pharmaceutics, Egyptian Drug Authority, Cairo 12618, Egypt.
Department of Pharmaceutics, Faculty of Pharmacy, University of Sadat City, Sadat 32897, Egypt.
Pharmaceuticals (Basel). 2021 Jul 5;14(7):645. doi: 10.3390/ph14070645.
This review describes different trials to model and predict drug payload in lipid and polymeric nanocarriers. It traces the evolution of the field from the earliest attempts when numerous solubility and Flory-Huggins models were applied, to the emergence of molecular dynamic simulations and docking studies, until the exciting practically successful era of artificial intelligence and machine learning. Going through matching and poorly matching studies with the wet lab-dry lab results, many key aspects were reviewed and addressed in the form of sequential examples that highlighted both cases.
本综述描述了用于模拟和预测脂质及聚合物纳米载体中药物载量的不同试验。它追溯了该领域的发展历程，从最早应用众多溶解度模型和弗洛里－哈金斯模型的尝试，到分子动力学模拟和对接研究的出现，直至人工智能和机器学习这一令人兴奋的实际成功时代。通过将研究结果与湿实验室和干实验室结果进行匹配和不匹配的研究，许多关键方面以突出两种情况的连续示例的形式进行了综述和探讨。
