Pham Duy Toan, Le Thi Truc Dao, Nguyen Ngoc Yen, Duc Chong Kim Thien, Tuan Nguyen Trong, Luong Huynh Vu Thanh, Tran Quyen Thi Bich, Nguyen Manh Quan, Thuy Bui Thi Phuong
Department of Health Sciences, College of Natural Sciences, Can Tho University, Campus II, 3/2 Street, Ninh Kieu District, Can Tho 900000, Vietnam.
Faculty of Chemical Engineering, College of Engineering, Can Tho University, Campus II, 3/2 Street, Ninh Kieu District, Can Tho 900000, Vietnam.
ACS Omega. 2025 Mar 14;10(11):11627-11641. doi: 10.1021/acsomega.5c01089. eCollection 2025 Mar 25.
Insights into antibiotic-carrier interactions in the silk-fibroin-based nanoparticles and considerations on the formulation process greenness are limited. Hence, this work developed and characterized polyethylene glycol-functionalized silk fibroin nanoparticles for oral delivery of cefotaxime (PEG/SFPs-CTX), with a focus on the simulations and process greenness. The particles were formulated by the two methods of co-condensation and adsorption. Dependent on the processes, the particles possessed spherical shape, smooth/rough surfaces, nanosize (170-650 nm), negative charge (-23 to -30 mV), and drug entrapment efficiency of ∼50%. The system rapidly absorbed the drug within 30 min, followed second-order kinetics, and significantly controlled the drug release rate in the simulated gastrointestinal system, which could bypass the stomach acidic pH. Interestingly, docking revealed that CTX mostly bound strongly and noncovalently with fibroin, particularly at glutamic acid, via hydrogen bonds, van der Waals forces, and π-π interactions, while PEG enhanced the stability of the system. Molecular dynamics simulations confirmed the complex's stability under physiological conditions. Lastly, life cycle assessment analysis showed that both formulation methods were environmental friendly, with limited impacts on the ecosystem, and the adsorption method was "greener" than the co-condensation method.
对基于丝素蛋白的纳米颗粒中抗生素与载体相互作用的见解以及对制剂过程绿色度的考虑有限。因此，本研究开发并表征了用于口服递送头孢噻肟的聚乙二醇功能化丝素蛋白纳米颗粒（PEG/SFPs-CTX），重点在于模拟和过程绿色度。通过共缩合和吸附两种方法制备颗粒。根据制备过程的不同，颗粒呈现球形，表面光滑/粗糙，粒径为纳米级（170 - 650 nm），带负电荷（-23至-30 mV），药物包封率约为50%。该系统在30分钟内迅速吸收药物，遵循二级动力学，并在模拟胃肠道系统中显著控制药物释放速率，可绕过胃的酸性pH值。有趣的是，对接结果显示头孢噻肟主要通过氢键、范德华力和π-π相互作用与丝素蛋白强烈且非共价结合，特别是在谷氨酸处，而聚乙二醇增强了系统的稳定性。分子动力学模拟证实了该复合物在生理条件下的稳定性。最后，生命周期评估分析表明两种制备方法均对环境友好，对生态系统影响有限，且吸附法比共缩合法“更绿色”。
