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基于深度学习模型和生成对抗网络的生物聚合物体外吡罗昔康释放和扩散的高效预测

Efficient Prediction of In Vitro Piroxicam Release and Diffusion From Topical Films Based on Biopolymers Using Deep Learning Models and Generative Adversarial Networks.

机构信息

Laboratory of Experimental Biology and Pharmacology (LBPE), Faculty of Sciences, University Dr. Yahia Fares of Medea, Algeria.

Faculty of Technology, Materials and Environment Laboratory (LME), University Dr. Yahia Fares of Medea, Algeria.

出版信息

J Pharm Sci. 2021 Jun;110(6):2531-2543. doi: 10.1016/j.xphs.2021.01.032. Epub 2021 Feb 3.

Abstract

The purpose of this study was to simultaneously predict the drug release and skin permeation of Piroxicam (PX) topical films based on Chitosan (CTS), Xanthan gum (XG) and its Carboxymethyl derivatives (CMXs) as matrix systems. These films were prepared by the solvent casting method, using Tween 80 (T80) as a permeation enhancer. All of the prepared films were assessed for their physicochemical parameters, their in vitro drug release and ex vivo skin permeation studies. Moreover, deep learning models and machine learning models were applied to predict the drug release and permeation rates. The results indicated that all of the films exhibited good consistency and physicochemical properties. Furthermore, it was noticed that when T80 was used in the optimal formulation (F8) based on CTS-CMX3, a satisfactory drug release pattern was found where 99.97% of PX was released and an amount of 1.18 mg/cm was permeated after 48 h. Moreover, Generative Adversarial Network (GAN) efficiently enhanced the performance of deep learning models and DNN was chosen as the best predictive approach with MSE values equal to 0.00098 and 0.00182 for the drug release and permeation kinetics, respectively. DNN precisely predicted PX dissolution profiles with f values equal to 99.99 for all the formulations.

摘要

本研究旨在通过壳聚糖(CTS)、黄原胶(XG)及其羧甲基衍生物(CMXs)作为基质系统,同时预测吡罗昔康(PX)的透皮释放和皮肤渗透。这些薄膜是通过溶剂浇铸法制备的,使用吐温 80(T80)作为渗透增强剂。所有制备的薄膜都进行了物理化学参数、体外药物释放和离体皮肤渗透研究评估。此外,还应用了深度学习模型和机器学习模型来预测药物释放和渗透速率。结果表明,所有薄膜均表现出良好的一致性和物理化学性质。此外,当 T80 被用于基于 CTS-CMX3 的最佳配方(F8)时,发现了令人满意的药物释放模式,其中 99.97%的 PX 在 48 小时内释放,渗透量为 1.18mg/cm。此外,生成对抗网络(GAN)有效地增强了深度学习模型的性能,而 DNN 被选为最佳预测方法,其药物释放和渗透动力学的均方误差(MSE)值分别为 0.00098 和 0.00182。DNN 对所有配方的 PX 溶解曲线进行了精确预测,f 值均等于 99.99。

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