To address the issues of infectious virus, bacterial secondary infections, skin pigmentation, and scarring caused by monkeypox virus (MPXV), a sprayable hydrogel with versatile functions was developed with comprehensive properties. Based on current research, the bioactive deep eutectic solvent (DES) of rosmarinic acid-proanthocyanidin-glycol (RPG) was designed and synthesized as active agent, and molecular docking was applied to discover its binding to MPXV proteins through H-bonds and van der Waals interactions, and the docking results show the binding energies between RA, PC, Gly and MPXV proteins are -58.7188, -50.2311, and -18.4755 kcal/mol, respectively. Additionally, poly(vinyl alcohol) (PVA), borate, and xylitol (Xyl) were integrated with RPG to prepare the PB-RPG-Xyl hydrogel, which was characterized by popular ways. The pH-responsive properties of the hydrogel accelerated the release of RPG under acidic conditions, resulting in an increased cumulative release percentage of 84.83% at pH 5.5 at 210 min. Besides that, it was proved to have the expected sprayability, self-healing, adhesion, and shape-adaptability. The results of molecular dynamic simulation were meaningful to understanding its formation and self-healing mechanisms. Furthermore, the hydrogel shows ideal degradability, removability, and biocompatibility. Lastly, its multiple functions were systematically explored, including UV-blocking, blood clotting, cooling, antioxidant, antibacterial, and virus inhibition properties. The developed sprayable PB-RPG-Xyl hydrogel represents the first promising dressing based on natural bioactive DES for MPXV lesions management, which not only expands the application of green solvents in health care but also provides a convenient and effective treatment process for MPXV infection in the face of difficult skin lesions and complex treatment needs.
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http://dx.doi.org/10.1021/acsami.4c14905 | DOI Listing |
Metabolites
December 2024
College of Life Science and Technology, Beijing University of Chemical Technology, Beijing 100029, China.
Volatile compounds have a deep influence on the quality and application of the medicinal herb ; however, little is known about the effect of UV-B radiation on volatile metabolites. We herein investigated the effects of UV-B exposure on the volatile compounds and transcriptome of to assess the potential for improving its quality and medicinal characteristics. Out of 733 volatiles obtained, a total of 133 differentially expressed metabolites (DEMs) were identified by metabolome analysis.
View Article and Find Full Text PDFMar Drugs
December 2024
Marine Medical Research and Development Centre, Shenzhen Institute of Guangdong Ocean University, Shenzhen 518120, China.
Heat stress poses a significant challenge to animal husbandry, contributing to oxidative stress, intestinal mucosal injury, and apoptosis, which severely impact animal health, growth, and production efficiency. The development of safe, sustainable, and naturally derived solutions to mitigate these effects is critical for advancing sustainable agricultural practices. Butyrolactone-I (BTL-I), a bioactive compound derived from deep-sea fungi (Aspergillus), shows promise as a functional feed additive to combat heat stress in animals.
View Article and Find Full Text PDFACS Appl Mater Interfaces
December 2024
School of Chemical Engineering, Sichuan University, Chengdu 610065, P. R. China.
To address the issues of infectious virus, bacterial secondary infections, skin pigmentation, and scarring caused by monkeypox virus (MPXV), a sprayable hydrogel with versatile functions was developed with comprehensive properties. Based on current research, the bioactive deep eutectic solvent (DES) of rosmarinic acid-proanthocyanidin-glycol (RPG) was designed and synthesized as active agent, and molecular docking was applied to discover its binding to MPXV proteins through H-bonds and van der Waals interactions, and the docking results show the binding energies between RA, PC, Gly and MPXV proteins are -58.7188, -50.
View Article and Find Full Text PDFDigit Discov
December 2024
Eindhoven University of Technology, Institute for Complex Molecular Systems, Eindhoven AI Systems Institute, Dept. Biomedical Engineering Eindhoven Netherlands
Deep learning has significantly accelerated drug discovery, with 'chemical language' processing (CLP) emerging as a prominent approach. CLP approaches learn from molecular string representations (, Simplified Molecular Input Line Entry Systems [SMILES] and Self-Referencing Embedded Strings [SELFIES]) with methods akin to natural language processing. Despite their growing importance, training predictive CLP models is far from trivial, as it involves many 'bells and whistles'.
View Article and Find Full Text PDFFood Chem
December 2024
Yangtze Delta Region Institute of Tsinghua University, Zhejiang 314006, China. Electronic address:
Silkworm pupae are highly valuable as edible insects due to their nutritional and bioactive properties. Investigating the bioactive compounds within silkworm pupae can provide useful information for advanced processing and utilization of this resource. In this study, untargeted metabolomics analysis was employed to characterize the bioactive compounds present in silkworm pupae (Bombyx mori).
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