Evaluation of the IKKβ Binding of Indicaxanthin by Induced-Fit Docking, Binding Pose Metadynamics, and Molecular Dynamics
出版年份 2021 全文链接
标题
Evaluation of the IKKβ Binding of Indicaxanthin by Induced-Fit Docking, Binding Pose Metadynamics, and Molecular Dynamics
作者
关键词
-
出版物
Frontiers in Pharmacology
Volume 12, Issue -, Pages -
出版商
Frontiers Media SA
发表日期
2021-09-10
DOI
10.3389/fphar.2021.701568
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Multiplexed Immunohistochemistry and Digital Pathology as the Foundation for Next-Generation Pathology in Melanoma: Methodological Comparison and Future Clinical Applications
- (2021) Yannick Van Herck et al. Frontiers in Oncology
- Deciphering the Nonsense Readthrough Mechanism of Action of Ataluren: An in Silico Compared Study
- (2019) Marco Tutone et al. ACS Medicinal Chemistry Letters
- Indicaxanthin, a multi-target natural compound from Opuntia ficus-indica fruit: From its poly-pharmacological effects to biochemical mechanisms and molecular modelling studies
- (2019) Mario Allegra et al. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
- A novel allosteric inhibitor that prevents IKKβ activation
- (2018) Hongbo Liu et al. MedChemComm
- Indicaxanthin from Opuntia Ficus Indica (L. Mill) impairs melanoma cell proliferation, invasiveness and tumor progression
- (2018) Mario Allegra et al. PHYTOMEDICINE
- Targeting IKKβ in Cancer: Challenges and Opportunities for the Therapeutic Utilisation of IKKβ Inhibitors
- (2018) Jack Prescott et al. Cells
- Chemical and Antioxidant Properties of Betalains
- (2017) Imen Belhadj Slimen et al. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
- New IKK inhibitors: Synthesis of new imidazo[1,2-a]quinoxaline derivatives using microwave assistance and biological evaluation as IKK inhibitors
- (2016) Georges Moarbess et al. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
- Prediction of Protein–Ligand Binding Poses via a Combination of Induced Fit Docking and Metadynamics Simulations
- (2016) Anthony J. Clark et al. Journal of Chemical Theory and Computation
- LASSBio-1829 Hydrochloride: Development of a New Orally ActiveN-Acylhydrazone IKK2 Inhibitor with Anti-inflammatory Properties
- (2015) Isabella A. Guedes et al. ChemMedChem
- The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities
- (2015) Samuel Genheden et al. Expert Opinion on Drug Discovery
- Indicaxanthin from Opuntia ficus-indica Crosses the Blood–Brain Barrier and Modulates Neuronal Bioelectric Activity in Rat Hippocampus at Dietary-Consistent Amounts
- (2015) Mario Allegra et al. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
- Crystal Structure of a Human IκB Kinase β Asymmetric Dimer
- (2013) Shenping Liu et al. JOURNAL OF BIOLOGICAL CHEMISTRY
- Hit identification of IKKβ natural product inhibitor
- (2013) Chung-Hang Leung et al. BMC Pharmacology & Toxicology
- Crystal structure of inhibitor of κB kinase β
- (2011) Guozhou Xu et al. NATURE
- Inflammation meets cancer, with NF-κB as the matchmaker
- (2011) Yinon Ben-Neriah et al. NATURE IMMUNOLOGY
- Oncogenic Activation of NF- B
- (2010) L. M. Staudt Cold Spring Harbor Perspectives in Biology
- NF-κB Inhibition through Proteasome Inhibition or IKKβ Blockade Increases the Susceptibility of Melanoma Cells to Cytostatic Treatment through Distinct Pathways
- (2009) Katharina Amschler et al. JOURNAL OF INVESTIGATIVE DERMATOLOGY
Add your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload NowAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started