ArticleDrug design, development and therapy2016
Determination of the binding mode for anti-inflammatory natural product xanthohumol with myeloid differentiation protein 2.
Article in Drug design, development and therapy, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed, 31 citations in OpenAlex.
- Novel insights into whey protein among Yak, Yellow Cattle, and Cattle-Yak milk.Food chemistry: X · 2024Article
- Inhibition of TLR4 signalling to dampen joint inflammation in osteoarthritis.Rheumatology (Oxford, England) · 2024Review
- Immunohistochemical Localization of MD2, a Co-Receptor of TLR4, in the Adult Mouse Brain.ACS chemical neuroscience · 2023Article
- Anti-Inflammatory and Anti-Rheumatic Potential of Selective Plant Compounds by Targeting TLR-4/AP-1 Signaling: A Comprehensive Molecular Docking and Simulation Approaches.Molecules (Basel, Switzerland) · 2022Article
- Chalcone derivatives ameliorate lipopolysaccharide-induced acute lung injury and inflammation by targeting MD2.Acta pharmacologica Sinica · 2022Article
- HSP60-Derived Peptide as an LPS/TLR4 Modulator: AnFrontiers in cardiovascular medicine · 2022Article
- Redox and Anti-Inflammatory Properties from Hop Components in Beer-Related to Neuroprotection.Nutrients · 2021Review
- Cinnamon and Hop Extracts as Potential Immunomodulators for Severe COVID-19 Cases.Frontiers in plant science · 2021Article
- Isorhamnetin Has Potential for the Treatment ofMolecules (Basel, Switzerland) · 2019Article
- Stereochemistry and innate immune recognition: (+)-norbinaltorphimine targets myeloid differentiation protein 2 and inhibits toll-like receptor 4 signaling.FASEB journal : official publication of the Federation of American Societies for Experimental Biology · 2019Article
- Dissecting the Innate Immune Recognition of Opioid Inactive Isomer (+)-Naltrexone Derived Toll-like Receptor 4 (TLR4) Antagonists.Journal of chemical information and modeling · 2018Article
- Ginger (Zingiber officinale) phytochemicals-gingerenone-A and shogaol inhibit SaHPPK: molecular docking, molecular dynamics simulations and in vitro approaches.Annals of clinical microbiology and antimicrobials · 2018Article
- Natural Products with Toll-Like Receptor 4 Antagonist Activity.International journal of inflammation · 2018Review
- Computational Approaches to Toll-Like Receptor 4 Modulation.Molecules (Basel, Switzerland) · 2016Review
Corrections and comments
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Authors and funding
11 authors at 2 institutions in 3 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
It is recognized that myeloid differentiation protein 2 (MD-2), a coreceptor of toll-like receptor 4 (TLR4) for innate immunity, plays an essential role in activation of the lipopolysaccharide signaling pathway. MD-2 is known as a neoteric and suitable therapeutical target. Therefore, there is great interest in the development of a potent MD-2 inhibitor for anti-inflammatory therapeutics. Several studies have reported that xanthohumol (XN), an anti-inflammatory natural product from hops and beer, can block the TLR4 signaling by binding to MD-2 directly. However, the interaction between MD-2 and XN remains unknown. Herein, our work aims at characterizing interactions between MD-2 and XN. Using a combination of experimental and theoretical modeling analysis, we found that XN can embed into the hydrophobic pocket of MD-2 and form two stable hydrogen bonds with residues ARG-90 and TYR-102 of MD-2. Moreover, we confirmed that ARG-90 and TYR-102 were two necessary residues during the recognition process of XN binding to MD-2. Results from this study identified the atomic interactions between the MD-2 and XN, which will contribute to future structural design of novel MD-2-targeting molecules for the treatment of inflammatory diseases.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.