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MD2 分子别名

MD2/Ly-96/ESOP-1/Lymphocyte antigen 96

MD2 分子背景

MD2 together with Toll-like receptor 4 (TLR4) is one of the key pattern recognition receptors for a pathogen-associated molecular pattern and activates innate immunity by recognizing lipopolysaccharide (LPS) of Gram-negative bacteria. MD-2 enabled TLR4 to respond to a wide variety of LPS partial structures, Gram-negative bacteria, and Gram-positive lipoteichoic acid, but not to Gram-positive bacteria, peptidoglycan, and lipopeptide.

MD2 前沿进展

DIORS: Enhancing drug-target interaction prediction via structure and signature integrated-driven approach and discovering potential targeted molecules
Tang, Gao, Luo et al
Pharmacol Res (2025)
Abstract: Drug-target interaction prediction is critical for drug development. Through the integration of structural and transcriptional signature information, molecules both binding to the target and inducing therapeutic activities could be found out to improve targeted drug prediction. Therefore, the approaches that integrate the two types of data are worth exploring. Here, we present an integrated method named Data Integration Oriented Repurposing Strategy (DIORS) combining molecular docking and gene-signature matching to enhance the prediction of protein-targeted drugs. The StandardScaler algorithm was selected after evaluation of five algorithms and was used in DIORS. Surface Plasmon Resonance (SPR) was used to verify the molecular affinities and cell-based assays were used to verify the activities of DIORS predicted molecules. In Piezo1-targeted molecule prediction, among the top ten predicted molecules by DIORS, four of them, namely gefitinib, rifaximin, bosutinib and vandetanib, exhibited binding affinities. In the prediction of TLR4/MD2-targeted anti-inflammatory molecules, among the top ten predicted molecules, three of them, namely enoxolone, dabrafenib and ponatinib, exhibit both high binding affinities and anti-inflammatory activities. The results demonstrated that DIORS can serve as a better approach with high performance to predict and find new targeted drugs by combining structural and signature information.Copyright © 2025. Published by Elsevier Ltd.
A Study of Variation in the Major Phenolic Acid Components of Dandelions Across Different Regions, and the Potential Molecular Mechanisms of Their Anti-Inflammatory Activity
Li, Meng, Feng et al
Curr Issues Mol Biol (2025) 47 (3)
Abstract: This study explores the variation in the content of major phenolic acid components in dandelions from different regions, and the potential molecular mechanisms underlying their anti-inflammatory activity. High-performance liquid chromatography (HPLC) was employed to analyze dandelion leaves collected from four different regions in Hebei Province across eight harvest periods. The results indicated that chlorogenic acid had the highest content (0.334-1.963%), suggesting that this could be a key evaluation index for dandelion leaf harvesting. Further molecular docking and molecular dynamics simulations revealed that chlorogenic acid, caffeic acid, and chicoric acid could competitively bind to the key amino acid residues (e.g., PHE-151, ILE-117) of the MD-2 protein, thereby preventing the insertion of lipopolysaccharides (LPSs) and inhibiting the formation of the TLR4/MD-2 complex, which elucidates their potential anti-inflammatory mechanism. Moreover, environmental factors significantly influenced the accumulation of phenolic acids in dandelions, with temperature, precipitation, soil pH, and altitude showing correlations with the content variation of major phenolic acids. These findings provide a scientific basis for determining the optimal harvesting period of dandelion leaves, and offer new insights into the anti-inflammatory mechanisms of phenolic acids.
Tm4sf19 inhibition ameliorates inflammation and bone destruction in collagen-induced arthritis by suppressing TLR4-mediated inflammatory signaling and abnormal osteoclast activation
Park, Yoon, Hong et al
Bone Res (2025) 13 (1), 40
Abstract: Rheumatoid arthritis (RA) is an autoimmune disease characterized by inflammation and abnormal osteoclast activation, leading to bone destruction. We previously demonstrated that the large extracellular loop (LEL) of Tm4sf19 is important for its function in osteoclast differentiation, and LEL-Fc, a competitive inhibitor of Tm4sf19, effectively suppresses osteoclast multinucleation and prevent bone loss associated with osteoporosis. This study aimed to investigate the role of Tm4sf19 in RA, an inflammatory and abnormal osteoclast disease, using a mouse model of collagen-induced arthritis (CIA). Tm4sf19 expression was observed in macrophages and osteoclasts within the inflamed synovium, and Tm4sf19 expression was increased together with inflammatory genes in the joint bones of CIA-induced mice compared with the sham control group. Inhibition of Tm4sf19 by LEL-Fc demonstrated both preventive and therapeutic effects in a CIA mouse model, reducing the CIA score, swelling, inflammation, cartilage damage, and bone damage. Knockout of Tm4sf19 gene or inhibition of Tm4sf19 activity by LEL-Fc suppressed LPS/IFN-γ-induced TLR4-mediated inflammatory signaling in macrophages. LEL-Fc disrupted not only the interaction between Tm4sf19 and TLR4/MD2, but also the interaction between TLR4 and MD2. μCT analysis showed that LEL-Fc treatment significantly reduced joint bone destruction and bone loss caused by hyperactivated osteoclasts in CIA mice. Taken together, these findings suggest that LEL-Fc may be a potential treatment for RA and RA-induced osteoporosis by simultaneously targeting joint inflammation and bone destruction caused by abnormal osteoclast activation.© 2025. The Author(s).
Showing 1-3 of 2332 papers.
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