@misc{10481/82305, year = {2023}, month = {4}, url = {https://hdl.handle.net/10481/82305}, abstract = {The healing process of chronic wounds continues to be a current clinical challenge, wors- ened by the risk of microbial infections and bacterial resistance to the most frequent antibiotics. In this work, non-antibiotic nanohybrids based on chlorhexidine dihydrochloride and clay minerals have been developed in order to design advanced therapeutic systems aimed to enhance wound healing in chronic lesions. To prepare the nanohybrids, two methodologies have been compared: the intercala- tion solution procedure and the spray-drying technique, the latter as a one-step process able to reduce preparation times. Nanohybrids were then fully studied by solid state characterization techniques. Computational calculations were also performed to assess the interactions between the drug and the clays at the molecular level. In vitro human fibroblast biocompatibility and antimicrobial activity against Staphylococcus aureus and Pseudomonas aeruginosa were assessed to check biocompatibility and potential microbicidal effects of the obtained nanomaterials. The results demonstrated the effective organic/inorganic character of the nanohybrids with homogeneous drug distribution into the clayey structures, which had been confirmed by classical mechanics calculations. Good biocompatibility and microbicidal effects were also observed, especially for the spray-dried nanohybrids. It was suggested that it could be due to a greater contact area with target cells and bacterial suspensions.}, organization = {Andalusian PID2020-112737RB-I00 MCIN/AEI/10.13039/501100011033}, organization = {P18-RT-3786}, publisher = {MDPI}, keywords = {Bentonite}, keywords = {Halloysite}, keywords = {Chlorhexidine}, keywords = {Spray drying}, keywords = {Molecular modelling}, keywords = {Wound healing}, keywords = {Chronic wounds}, keywords = {Biocompatibility}, keywords = {Antimicrobial properties}, keywords = {Antibiotic resistance}, title = {Characterization and Molecular Modelling of Non-Antibiotic Nanohybrids for Wound Healing Purposes}, doi = {10.3390/pharmaceutics15041140}, author = {Valentino, Caterina and Martínez Rodríguez, Tomás and Hernández Benavides, Pablo José and Arrebola Vargas, Francisco Jesús and Paredes Martínez, José Manuel and Sainz Díaz, Claro Ignacio and Medina Pérez, María Del Mar and Aguzzi, Carola}, }