Role of phytochemical mediated zinc oxide nanoparticles on biomedical and industrial wastewater treatment: A green approach by experimental and molecular docking exploration

作     者：Muchinthala, Praveen Kumar Losetty, Venkatramana 

作者机构：Vel Tech Rangarajan Dr Sagunthala R&D Inst Science Dept Chem Chennai 600062 India MSN Life Sci Pvt Ltd Hyderabad 502255 India 

出 版 物：《JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING》 (J. Environ. Chem. Eng.)

年 卷 期：2025年第13卷第2期

核心收录：

学科分类：0830[工学-环境科学与工程（可授工学、理学、农学学位）] 0817[工学-化学工程与技术] 08[工学] 

基　　金：The author expresses sincere thanks to the Department of Chemistry  Vel Tech Rangarajan Dr. Sagunthala R&D Institute of Science and Technology  Chennai  and MSN Life Sciences Private Limited  Hyderabad for providing the laboratory facilities and constant support to carry out the present work 

主　　题：Green synthesis Zinc oxide nanoparticle Antibacterial activity Molecular docking Dye degradation 

摘      要：This study focused on one-pot green synthesis of zinc oxide nanoparticles (ZnO NPs) using Ipomoea Sagittifolia Burm.f plant extract. Various techniques were used for particle characteristics such as crystallinity, morphology, elemental composition, particle size, and particle distribution. These techniques reveal the ZnO NPs formation, phytochemicals presence, crystalline nature, and hexagonal wurtzite structure with a size of 37-51 f 8.5 nm. The antibacterial activity of plant extract and ZnO NPs were performed against Staphylococcus aureus, Streptococcus pyogenes, Klebsiella pneumoniae, and Escherichia coli pathogenies. Among four, S. aureus showed the highest zone of inhibition than others. The antioxidant efficiency of plant extract and ZnO NPs were examined. The anticancer activity against A549 and MCF7 cell lines were analysed, MCF7 showed the highest activity (IC50 = 64.41 % and 47.02 %) than A549 (86.09 % and 65.47 %) at 100 mu g/mL. The results were validated with Amoxicillin, Doxorubicin and Vero cell lines. Furthermore, molecular docking was performed to study the interactions between the active sites of the target proteins with ligands were reported. The antibacterial strain S. aureus showed the highest mean binding energy -2.92 kcal/mol, -4.10 kcal/mol and -5.03 kcal/mol for the plant extract, ZnO NPs, and Amoxicillin, respectively. Likewise, the anticancer activity against A549, and MCF7 cell lines were analyzed, MCF7 showed the highest activity with mean binding energy of -4.18 kcal/mol, -4.39 kcal/mol and -4.68 kcal/mol for bioactive molecule, ZnO NPs and Doxorubicin, respectively. In addition, the degradation efficiency of NPs with methylene blue was 97.8 % after 90 min of exposure time under direct sunlight.