Moracin B

Exploring the pharmacological components and effective mechanism of Mori Folium against periodontitis using network pharmacology and molecular docking.[Pubmed:35430443]

Arch Oral Biol. 2022 Jul;139:105391.

OBJECTIVES: To investigate the main active components, potential targets of action and analyze the potential molecular mechanisms of Mori Folium in preventing and treating periodontitis using network pharmacology and molecular docking methods. MATERIALS AND METHODS: The main components and action targets of Mori Folium were obtained in TCMSP and ETCM databases, and then the action targets of Mori Folium components were inversing screening using Swiss Target Prediction and BATMAN-TCM databases. Targets associated with periodontitis were retrieved from OMIM, Genecard, DrugBank, NCBI Gene and DisGeNET databases. Intersectional targets of Mori Folium and periodontitis were obtained by Venn analysis. Construction of an "active components-targets" network to prevent and treat periodontitis in Mori Folium using Cytoscape 3.8.0. The STRING database was used to construct the protein-protein interaction (PPI) network of intersecting targets, and the core network was screened using CytoNCA and MCODE plug-ins. Gene ontology (GO) and Kyoto encyclopedia of genes and genomes (KEGG) enrichment analyses were performed using the ClusterProfile package of R software, and then the "Mori Folium active components-targets-signaling pathway" network was constructed using Cytoscape software. Molecular docking was performed using AutoDock Vina software, and Pymol and LigPlus visualized the results. RESULTS: Sixteen active components and 1048 targets were screened from Mori Folium, of which 164 were intersectional with periodontitis targets and were considered potential therapeutic targets. The "Mori Folium active components-action targets" network identified Quercetin, Moracin D, Moracin E, Moracin G, Moracin H and Moracin B as the main active ingredients of Mori Folium for the prevention and treatment of periodontitis. PPI network analysis revealed interleukin 6 (IL6), albumin (ALB), tumor necrosis factor (TNF), vascular endothelial growth factor A (VEGFA), RAC-alpha serine/threonine-protein kinase (AKT1), cellular tumor antigen p53 (TP53), prostaglandin G/H synthase 2 (PTGS2), pro-epidermal growth factor (EGF), matrix metalloproteinase 9 (MMP9) and interleukin 6 (IL10) as the top 10 core potential targets. GO and KEGG enrichment analyses showed that the action targets of Mori Folium against periodontitis were mainly related to the response to bacterium and their lipopolysaccharide, angiogenesis and reactive oxygen species metabolic process, as well as through signaling pathways that regulate processes related to the accumulation of advanced glycation end products (AGEs), response to oxidative stress, response to inflammatory, and osteoclast differentiation during the development of the disease. Molecular docking revealed that Quercetin, Moracin D, Moracin E, Moracin G, Moracin H and Moracin B were able to bind stably to AKT1, PTGS2 and ESR1 targets, with Moracin E showing the most stable structure after binding to AKT1. CONCLUSIONS: In conclusion, this study revealed the active components, potential targets of action and the potential molecular mechanisms and pharmacological activities involved in the prevention and treatment of periodontitis in Mori Folium, providing a reference for the development of drugs from Mori Folium for the prevention and treatment of periodontitis.

Isolation, Identification, and Quantification of Tyrosinase and alpha-Glucosidase Inhibitors from UVC-Irradiated Mulberry (Morus alba L.) Leaves.[Pubmed:31008101]

Prev Nutr Food Sci. 2019 Mar;24(1):84-94.

Methanol extracts from ultraviolet (UV) C-irradiated mulberry leaves (UVC-IML) exhibit stronger tyrosinase and alpha-glucosidase inhibitory activities than those from unirradiated mulberry leaves. Through a bioassay-guided fractionation and purification process, two oxyresveratrol derivatives, oxyresveratrol (ORT) and 4'-prenyloxyresveratrol (PORT), and six 2-arylbenzofuran derivatives [Moracin B (MCB), moracin C (MCC), moracin M (MCM), moracin N (MCN), 6,5'-dimethoxymoracin M (DMMCM), and chalcomoracin (CMC)] were isolated from the methanol extract from UVC-IML. Their chemical structures were determined by UV, mass, and nuclear magnetic resonance spectrometry. ORT and PORT showed potent tyrosinase inhibitory activities with the half maximal inhibitory concentration (IC(50)) values of 0.57 and 0.90 muM, respectively, and CMC exhibited significant tyrosinase and alpha-glucosidase inhibitory activity with IC(50) values of 5.61 and 6.00 muM, respectively. Levels of these eight compounds were increased significantly following irradiation compared with untreated mulberry leaves; ORTs increased approximately 4 fold and moracins increased 2~16 fold. These data suggest that UVC-IML may represent a promising source of nutraceuticals and cosmeceuticals for prevention of diabetes and skin aging.