TLR4-Targeting Therapeutics: Structural Basis and Computer-Aided Drug Discovery Approaches

Novel carboxylate-based glycolipids: TLR4 antagonism, MD-2 binding and self-assembly properties

(2019) Florent Cochet et al.   Scientific Reports

Rescoring and Linearly Combining: A Highly Effective Consensus Strategy for Virtual Screening Campaigns

(2019) Alessandro Pedretti et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

A Structure-Based Drug Discovery Paradigm

(2019) Maria Batool et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

The adjuvant GLA-SE promotes human Tfh cell expansion and emergence of public TCRβ clonotypes

(2019) Danika L. Hill et al.   JOURNAL OF EXPERIMENTAL MEDICINE

Linear and Rationally Designed Stapled Peptides Abrogate TLR4 Pathway and Relieve Inflammatory Symptoms in Rheumatoid Arthritis Rat Model

(2019) Asma Achek et al.   JOURNAL OF MEDICINAL CHEMISTRY

Inhibition of TLR4/TRIF/IRF3 Signaling Pathway by Curcumin in Breast Cancer Cells

(2019) Gamze Güney Eskiler et al.   JOURNAL OF PHARMACY AND PHARMACEUTICAL SCIENCES

Key residues in TLR4-MD2 tetramer formation identified by free energy simulations

(2019) Alireza Tafazzol et al.   PLoS Computational Biology

Machine learning and bioinformatics models to identify gene expression patterns of ovarian cancer associated with disease progression and mortality

(2019) Md. Ali Hossain et al.   JOURNAL OF BIOMEDICAL INFORMATICS

Curcumin: A natural modulator of immune cells in systemic lupus erythematosus

(2018) Amir Abbas Momtazi-Borojeni et al.   AUTOIMMUNITY REVIEWS

Recent progress in the discovery of myeloid differentiation 2 (MD2) modulators for inflammatory diseases

(2018) Lingfeng Chen et al.   DRUG DISCOVERY TODAY

Discovery of novel small molecule TLR4 inhibitors as potent anti-inflammatory agents

(2018) Yao Xu et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Recent advances on Toll-like receptor 4 modulation: new therapeutic perspectives

(2018) Lenny Zaffaroni et al.   Future Medicinal Chemistry

Structural insights into pharmacophore-assisted in silico identification of protein–protein interaction inhibitors for inhibition of human toll-like receptor 4 – myeloid differentiation factor-2 (hTLR4−MD-2) complex

(2018) Vinita Mishra et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Exploring the biological functional mechanism of the HMGB1/TLR4/MD-2 complex by surface plasmon resonance

(2018) Mingzhu He et al.   MOLECULAR MEDICINE

TLR4-Binding DNA Aptamers Show a Protective Effect against Acute Stroke in Animal Models

(2018) Gerónimo Fernández et al.   MOLECULAR THERAPY

Rational Design of a New Class of Toll-Like Receptor 4 (TLR4) Tryptamine Related Agonists by Means of the Structure- and Ligand-Based Virtual Screening for Vaccine Adjuvant Discovery

(2018) Jan Honegr et al.   MOLECULES

Molecular modeling reveals the inhibition mechanism and binding mode of ursolic acid to TLR4-MD2

(2018) Xiaodi Niu et al.   Computational and Theoretical Chemistry

Computational Insight Into the Structural Organization of Full-Length Toll-Like Receptor 4 Dimer in a Model Phospholipid Bilayer

(2018) Mahesh Chandra Patra et al.   Frontiers in Immunology

Binding and structure-kinetic relationship analysis of selective TLR4-targeted immunosuppressive self-assembling heparin nanoparticles

(2018) Hasan Babazada et al.   INTERNATIONAL JOURNAL OF PHARMACEUTICS

Mechanistic Insights into High Mobility Group Box-1 (HMGb1) induced Toll-like Receptor 4 (TLR4) Dimer Formation

(2018) Shan Sun et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

TLR4-based immunotherapeutics in cancer: a review of the achievements and shortcomings

(2018) Maryam A. Shetab Boushehri et al.   MOLECULAR PHARMACEUTICS

Computationally Designed Bispecific MD2/CD14 Binding Peptides Show TLR4 Agonist Activity

(2018) Amit Michaeli et al.   JOURNAL OF IMMUNOLOGY

Toll-like receptor stimulation in cancer: A pro- and anti-tumor double-edged sword

(2017) Marion Dajon et al.   IMMUNOBIOLOGY

Curcumin use in pulmonary diseases: State of the art and future perspectives

(2017) Diana Lelli et al.   PHARMACOLOGICAL RESEARCH

Spatial structure of TLR4 transmembrane domain in bicelles provides the insight into the receptor activation mechanism

(2017) Konstantin S. Mineev et al.   Scientific Reports

Evidence of NI-0101 pharmacological activity, an anti-TLR4 antibody, in a randomized phase I dose escalation study in healthy volunteers receiving LPS

(2016) E Monnet et al.   CLINICAL PHARMACOLOGY & THERAPEUTICS

Carvedilol attenuates paraquat-induced lung injury by inhibition of proinflammatory cytokines, chemokine MCP-1, NF-κB activation and oxidative stress mediators

(2016) Keyvan Amirshahrokhi et al.   CYTOKINE

Toll-like receptors targeting technology for the treatment of lymphoma

(2016) Maria Batool et al.   Expert Opinion on Drug Discovery

Curcumin: A new candidate for melanoma therapy?

(2016) Hamed Mirzaei et al.   INTERNATIONAL JOURNAL OF CANCER

Assessment of Clinical Criteria for Sepsis

(2016) Christopher W. Seymour et al.   JAMA-JOURNAL OF THE AMERICAN MEDICAL ASSOCIATION

Discovery and Structure–Activity Relationships of the Neoseptins: A New Class of Toll-like Receptor-4 (TLR4) Agonists

(2016) Matthew D. Morin et al.   JOURNAL OF MEDICINAL CHEMISTRY

Computational Approaches to Toll-Like Receptor 4 Modulation

(2016) Jean-Marc Billod et al.   MOLECULES

Computational approaches in target identification and drug discovery

(2016) Theodora Katsila et al.   Computational and Structural Biotechnology Journal

A structural insight into the negative effects of opioids in analgesia by modulating the TLR4 signaling: An in silico approach

(2016) Masaud Shah et al.   Scientific Reports

ZINC 15 – Ligand Discovery for Everyone

(2015) Teague Sterling et al.   Journal of Chemical Information and Modeling

Insights into the species-specific TLR4 signaling mechanism in response to Rhodobacter sphaeroides lipid A detection

(2015) Muhammad Ayaz Anwar et al.   Scientific Reports

ZDOCK server: interactive docking prediction of protein-protein complexes and symmetric multimers

(2014) B. G. Pierce et al.   BIOINFORMATICS

Lipid-modifying effects of adjunctive therapy with curcuminoids–piperine combination in patients with metabolic syndrome: Results of a randomized controlled trial

(2014) Yunes Panahi et al.   COMPLEMENTARY THERAPIES IN MEDICINE

Curcumin attenuates acute inflammatory injury by inhibiting the TLR4/MyD88/NF-κB signaling pathway in experimental traumatic brain injury

(2014) Hai-tao Zhu et al.   Journal of Neuroinflammation

IRAK4 Dimerization and trans -Autophosphorylation Are Induced by Myddosome Assembly

(2014) Ryan Ferrao et al.   MOLECULAR CELL

TLR4 signalling in osteoarthritis—finding targets for candidate DMOADs

(2014) Rodolfo Gómez et al.   Nature Reviews Rheumatology

Sulforaphane inhibits the engagement of LPS with TLR4/MD2 complex by preferential binding to Cys133 in MD2

(2013) Jung Eun Koo et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

Virtual Screening Strategies in Drug Discovery: A Critical Review

(2013) A. Lavecchia et al.   CURRENT MEDICINAL CHEMISTRY

Effect of Eritoran, an Antagonist of MD2-TLR4, on Mortality in Patients With Severe Sepsis

(2013) Steven M. Opal et al.   JAMA-JOURNAL OF THE AMERICAN MEDICAL ASSOCIATION

Role of the Toll Like Receptor (TLR) Radical Cycle in Chronic Inflammation: Possible Treatments Targeting the TLR4 Pathway

(2013) Kurt Lucas et al.   MOLECULAR NEUROBIOLOGY

Recognition of lipid A variants by the TLR4-MD-2 receptor complex

(2013) Nina Maeshima et al.   Frontiers in Cellular and Infection Microbiology

Computational drug discovery

(2012) Si-sheng Ou-Yang et al.   ACTA PHARMACOLOGICA SINICA

Curcumin in inflammatory diseases

(2012) Adeeb Shehzad et al.   BIOFACTORS

Structural Analyses of Human Toll-like Receptor 4 Polymorphisms D299G and T399I

(2012) Umeharu Ohto et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

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(2012) Massimiliano DePaola et al.   MOLECULAR MEDICINE

Structure-Based Rational Design of a Toll-like Receptor 4 (TLR4) Decoy Receptor with High Binding Affinity for a Target Protein

(2012) Jieun Han et al.   PLoS One

Glucopyranosyl Lipid Adjuvant (GLA), a Synthetic TLR4 Agonist, Promotes Potent Systemic and Mucosal Responses to Intranasal Immunization with HIVgp140

(2012) Mauricio A. Arias et al.   PLoS One

Selective TRIF-Dependent Signaling by a Synthetic Toll-Like Receptor 4 Agonist

(2012) W. S. Bowen et al.   Science Signaling

A TLR4 agonist synergizes with dendritic cell-directed lentiviral vectors for inducing antigen-specific immune responses

(2012) Liang Xiao et al.   VACCINE

Trial watch: FDA-approved Toll-like receptor agonists for cancer therapy

(2012) Erika Vacchelli et al.   OncoImmunology

Structure-based drug design to augment hit discovery

(2011) Subha Kalyaanamoorthy et al.   DRUG DISCOVERY TODAY

A new synthetic TLR4 agonist, GLA, allows dendritic cells targeted with antigen to elicit Th1 T-cell immunity in vivo

(2011) Austin Pantel et al.   EUROPEAN JOURNAL OF IMMUNOLOGY

Identification of Interaction Sites for Dimerization and Adapter Recruitment in Toll/Interleukin-1 Receptor (TIR) Domain of Toll-like Receptor 4

(2011) Celia Bovijn et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Application of a novel in silico high-throughput screen to identify selective inhibitors for protein–protein interactions

(2010) Catherine Joce et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Principles of early drug discovery

(2010) JP Hughes et al.   BRITISH JOURNAL OF PHARMACOLOGY

Toll-Like Receptor Agonists

(2010) Sacha Gnjatic et al.   CANCER JOURNAL

Pattern Recognition Receptors and Inflammation

(2010) Osamu Takeuchi et al.   CELL

A randomized, double-blind, placebo-controlled trial of TAK-242 for the treatment of severe sepsis*

(2010) Todd W. Rice et al.   CRITICAL CARE MEDICINE

Computer-aided drug design platform using PyMOL

(2010) Markus A. Lill et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

TAK-242 (Resatorvid), a Small-Molecule Inhibitor of Toll-Like Receptor (TLR) 4 Signaling, Binds Selectively to TLR4 and Interferes with Interactions between TLR4 and Its Adaptor Molecules

(2010) N. Matsunaga et al.   MOLECULAR PHARMACOLOGY

Aptamers as therapeutics

(2010) Anthony D. Keefe et al.   NATURE REVIEWS DRUG DISCOVERY

Crystal structure of soluble MD-1 and its interaction with lipid IVa

(2010) S.-i. Yoon et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Toll-like receptor agonists in cancer therapy

(2009) Sylvia Adams   Immunotherapy

The role of Toll-like receptors in chronic inflammation

(2009) Stefan K. Drexler et al.   INTERNATIONAL JOURNAL OF BIOCHEMISTRY & CELL BIOLOGY

Sulforaphane Suppresses Oligomerization of TLR4 in a Thiol-Dependent Manner

(2009) Hyung Sun Youn et al.   JOURNAL OF IMMUNOLOGY

The Roles of Toll-Like Receptors in Atherosclerosis

(2009) Clett Erridge   Journal of Innate Immunity

The structural basis of lipopolysaccharide recognition by the TLR4–MD-2 complex

(2009) Beom Seok Park et al.   NATURE

Identification of Oxidative Stress and Toll-like Receptor 4 Signaling as a Key Pathway of Acute Lung Injury

(2008) Yumiko Imai et al.   CELL

LPS/TLR4 signal transduction pathway

(2008) Yong-Chen Lu et al.   CYTOKINE

Expression of TLR4 and CD14 in the Central Nervous System (CNS) in a MPTP Mouse Model of Parkinson's-Like Disease

(2008) Maria Antonietta Panaro et al.   IMMUNOPHARMACOLOGY AND IMMUNOTOXICOLOGY

TRAM couples endocytosis of Toll-like receptor 4 to the induction of interferon-β

(2008) Jonathan C Kagan et al.   NATURE IMMUNOLOGY

Curcumin as “Curecumin”: From kitchen to clinic

(2007) Ajay Goel et al.   BIOCHEMICAL PHARMACOLOGY