Objective:This study investigates the novel medicinal potential of five commonly used Pteris genus plants,including Pteris cretica,P.multifida,P.wallichiana,P.semipinnata,and P.vittata,by analyzing their chloroplast g...Objective:This study investigates the novel medicinal potential of five commonly used Pteris genus plants,including Pteris cretica,P.multifida,P.wallichiana,P.semipinnata,and P.vittata,by analyzing their chloroplast genomes,chemical compositions,and pharmacological activities.Methods:We conducted a rigorous phylogenetic analysis of these five pteridophytes to elucidate their evolutionary relationships.Chemical constituents were subjected to network pharmacology analysis to investigate their potential medicinal properties.Protein-protein interaction(PPI)networks and compounds-disease target networks were constructed using Cytoscape 3.7.2.Functional annotations,including Gene ontology(GO)enrichment analysis and Kyoto encyclopedia of genes and genomes(KEGG)pathway analysis,were conducted by the Metascape platform.Finally,molecular docking simulations were carried out with Auto Dock software to validate key findings.Results:Our study revealed a close phylogenetic relationship between P.cretica and P.multifida,with P.cretica exhibiting a higher enrichment score for COVID-19-related pathways.Network pharmacology analysis of P.cretica identified 21 compounds and 540 targets,including 69 associated with COVID-19.The potential therapeutic effects of P.cretica were linked to virus infection,inflammation,and immune response modulation.Core pathways included“coronavirus disease-COVID-19”,“JAK-STAT signaling pathway”,and“Toll-like receptor signaling pathway”.Molecular docking identified(22E)-5a,8a--epidioxyergosta-6,22-dien-3β-ol,notholaenic acid,2β,15a-diol-ent-kaur-16-ene,and multikaurane A as vital compounds for COVID-19 treatment in P.cretica.Conclusion:This study highlights P.cretica as a potential candidate for COVID-19 prevention and treatment,identifying its key active components and mechanisms.These findings provide a scientific basis for further development of potential therapeutic agents based on P.cretica.展开更多
Engineering of smart building molecules is key basis in designing intelligent drug delivery systems.As an emerging sophisticated delivery system strategy,the powerful functions of peptide drug conjugates(PDCs)are attr...Engineering of smart building molecules is key basis in designing intelligent drug delivery systems.As an emerging sophisticated delivery system strategy,the powerful functions of peptide drug conjugates(PDCs)are attributed to a smart linker and multifunctional peptide domain.Peptides exhibit a wide range of functions and properties,including easy chemical synthesis and versatile modification,tunable biocompatibility,diversified self-assembled nanostructures,specific recognition/binding,and deep penetration of the cell membrane/extracellular matrix.In addition,various types of linkers enable PDCs to release drugs responsively according to the disease microen-vironment or treatment needs.Owing to these inherent advantages,PDCs have been widely explored for drug delivery.Herein,the latest developments in functional peptides and linkers commonly used to construct smart PDCs are reviewed.The purpose is to bring widespread attention to PDC design strategies and their contribution to fighting various diseases,as well as to provide guidance for research on intelligent PDC drug delivery systems.展开更多
基金supported by CAMS Innovation Fund for Medical Sciences(CIFMS)(No.2022-I2M-1-018)Key Project at Central Government Level:The Ability Establishment of Sustainable Use for Valuable Chinese Medicine Resources(No.2060302)。
文摘Objective:This study investigates the novel medicinal potential of five commonly used Pteris genus plants,including Pteris cretica,P.multifida,P.wallichiana,P.semipinnata,and P.vittata,by analyzing their chloroplast genomes,chemical compositions,and pharmacological activities.Methods:We conducted a rigorous phylogenetic analysis of these five pteridophytes to elucidate their evolutionary relationships.Chemical constituents were subjected to network pharmacology analysis to investigate their potential medicinal properties.Protein-protein interaction(PPI)networks and compounds-disease target networks were constructed using Cytoscape 3.7.2.Functional annotations,including Gene ontology(GO)enrichment analysis and Kyoto encyclopedia of genes and genomes(KEGG)pathway analysis,were conducted by the Metascape platform.Finally,molecular docking simulations were carried out with Auto Dock software to validate key findings.Results:Our study revealed a close phylogenetic relationship between P.cretica and P.multifida,with P.cretica exhibiting a higher enrichment score for COVID-19-related pathways.Network pharmacology analysis of P.cretica identified 21 compounds and 540 targets,including 69 associated with COVID-19.The potential therapeutic effects of P.cretica were linked to virus infection,inflammation,and immune response modulation.Core pathways included“coronavirus disease-COVID-19”,“JAK-STAT signaling pathway”,and“Toll-like receptor signaling pathway”.Molecular docking identified(22E)-5a,8a--epidioxyergosta-6,22-dien-3β-ol,notholaenic acid,2β,15a-diol-ent-kaur-16-ene,and multikaurane A as vital compounds for COVID-19 treatment in P.cretica.Conclusion:This study highlights P.cretica as a potential candidate for COVID-19 prevention and treatment,identifying its key active components and mechanisms.These findings provide a scientific basis for further development of potential therapeutic agents based on P.cretica.
基金supported by National Natural Science Foundation of China(No.82173992,81773662,81973488,81804100)National Key R&D program of China(2018YFC1706905)Postgraduate Research&Practice Innovation Program of Jiangsu Province(KYCX_201491).
文摘Engineering of smart building molecules is key basis in designing intelligent drug delivery systems.As an emerging sophisticated delivery system strategy,the powerful functions of peptide drug conjugates(PDCs)are attributed to a smart linker and multifunctional peptide domain.Peptides exhibit a wide range of functions and properties,including easy chemical synthesis and versatile modification,tunable biocompatibility,diversified self-assembled nanostructures,specific recognition/binding,and deep penetration of the cell membrane/extracellular matrix.In addition,various types of linkers enable PDCs to release drugs responsively according to the disease microen-vironment or treatment needs.Owing to these inherent advantages,PDCs have been widely explored for drug delivery.Herein,the latest developments in functional peptides and linkers commonly used to construct smart PDCs are reviewed.The purpose is to bring widespread attention to PDC design strategies and their contribution to fighting various diseases,as well as to provide guidance for research on intelligent PDC drug delivery systems.
