Cargando…

Discovery of novel TLR modulators by Molecular Modeling and Virtual Screening

Detalles Bibliográficos
Autores principales:	Murgueitio, Manuela S, Santos-Sierra, Sandra, Wolber, Gerhard
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	BioMed Central 2012
Materias:	Poster Presentation
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3341215/ http://dx.doi.org/10.1186/1758-2946-4-S1-P58

Ejemplares similares

In silico virtual screening approaches for anti-viral drug discovery
por: Murgueitio, Manuela S., et al.
Publicado: (2012)

Discovery of novel α-amylase inhibitors using structure-based drug design
por: Al-Asri, Jamil, et al.
Publicado: (2014)

Dualsteric modulators of the M2 muscarinic acetylcholine receptor
por: Bermudez, Marcel, et al.
Publicado: (2014)

3D pharmacophore alignments: does improved geometric accuracy affect virtual screening performance?
por: Wolber, Gerhard, et al.
Publicado: (2010)

Efficient 3D pharmacophore alignment as a tool for structure-based modeling and scoring
por: Wolber, Gerhard
Publicado: (2008)

Biological Characterization, Mechanistic Investigation and Structure‐Activity Relationships of Chemically Stable TLR2 Antagonists
por: Bermudez, Marcel, et al.
Publicado: (2020)

Visualization and virtual screening in molecular property spaces
por: Klenner, A, et al.
Publicado: (2011)

Kernel learning for ligand-based virtual screening: discovery of a new PPARγ agonist
por: Rupp, Matthias, et al.
Publicado: (2010)

A framework and workflow system for virtual screening and molecular docking
por: Schumann, M, et al.
Publicado: (2011)

Virtual screening and in silico design of novel inhibitors of bacterial lectins
por: Alán, Jan, et al.
Publicado: (2012)

In silico identification of novel PKC βII inhibitors: ligand and receptor based pharmacophore modeling, virtual screening, and molecular dynamics study
por: Grewal, Baljinder K, et al.
Publicado: (2012)

Using structure- and Ligand-based pharmacophores as filters to discriminate Human Aryl Sulfotransferase 1A1 (SUL1A1) binders into substrates and inhibitors
por: Soliman, Salwa M, et al.
Publicado: (2014)

Docking and virtual screening of novel inhibitors for mono-ADP-ribosylating toxins
por: Scharfe, M, et al.
Publicado: (2011)

Discovery of a novel IKK-β inhibitor by ligand-based virtual screening techniques
por: Noha, Stefan M., et al.
Publicado: (2011)

Bioisosteric similarity of drugs in virtual screening
por: Hutter, Michael C, et al.
Publicado: (2010)

TLR-9, but not TLR-2, TLR-3 and TLR-4, is upregulated on peripheral blood mononuclear cells of patients with active systemic lupus erythematosus
por: Papadimitraki, ED, et al.
Publicado: (2005)

Expression of Toll-like receptor (TLR) 2, TLR3, TLR4 and TLR7 is increased in rheumatoid arthritis synovium and regulates cytokine production by dendritic cells upon stimulation of TLR specific pathways
por: Roelofs, MF, et al.
Publicado: (2005)

PyRod Enables Rational Homology Model‐based Virtual Screening Against MCHR1
por: Schaller, David, et al.
Publicado: (2020)

Tautomerism in structure-based 3D pharmacophore modeling
por: Seidel, Thomas, et al.
Publicado: (2008)

Exploring benchmark dataset bias in ligand based virtual screening
por: Baumann, Knut, et al.
Publicado: (2008)

Modulation of virtual arm trajectories via microstimulation in a spiking model of sensorimotor cortex
por: Dura-Bernal, Salvador, et al.
Publicado: (2014)

Evaluation of different machine learning methods for ligand-based virtual screening
por: Kurczab, R, et al.
Publicado: (2011)

Comparison of immune modulation by TLR8 agonist vtx-2337 (motolimod) in cancer patients and healthy volunteers
por: Dietsch, Greg, et al.
Publicado: (2014)

Computer-guided discovery of epigenetics drugs: molecular modeling and identification of inhibitors of DNMT1
por: Yoo, Jakyung, et al.
Publicado: (2012)

Ligand-side tautomer enumeration and scoring for structure-based drug-design
por: Seidel, Thomas, et al.
Publicado: (2010)

Assessment of a probabilistic framework for combining structure- and ligand-based virtual screening
por: Fulle, Simone, et al.
Publicado: (2012)

Identification of SUMO activating enzyme 1 inhibitors utilizing virtual screening approach
por: Kumar, Ashutosh, et al.
Publicado: (2014)

IL-1-driven cartilage and bone destruction are dependent on Toll-like receptor (TLR) 4, but not TLR2
por: Abdollahi-Roodsaz, S, et al.
Publicado: (2005)

Discovery of new TLR7 agonists by a combination of statistical learning-based QSAR, virtual screening, and molecular dynamics
por: Abiri, Ardavan, et al.
Publicado: (2021)

Unc93 homolog B1 restricts systemic lethal inflammation by orchestrating TLR7 and TLR9 response
por: Fukui, Ryutaro, et al.
Publicado: (2012)

Evaluation of molecular model-based discovery of ecto-5’-nucleotidase inhibitors on the basis of X-ray structures
por: Furtmann, Norbert, et al.
Publicado: (2014)

TLR signals modify the expression of scavenger receptors
por: Zamora, C, et al.
Publicado: (2010)

Computational discovery and experimental validation of novel drug targets in immuno-oncology
por: Levy, Ofer, et al.
Publicado: (2015)

Virtual Screening as a Technique for PPAR Modulator Discovery
por: Lewis, Stephanie N., et al.
Publicado: (2010)

TLR-3 and TLR-7/8 ligands indirectly activate Langerhans cells when intradermally injected by triggering the recruitment of inflammatory cells
por: Epaulard, O, et al.
Publicado: (2012)

TLR4 on hematopoietic cells is crucial for host defense against Klebsiella pneumonia but TLR2 is needed when bacterial numbers are high
por: Wieland, C, et al.
Publicado: (2009)

A novel TLR-8 agonist attenuates nasal symptoms/congestion in both dog and human allergen challenge studies
por: Barrett, Edward G, et al.
Publicado: (2013)

TLR2, TLR4, CD14, CD11b and CD11c expression on monocyte surfaces and cytokine production in septic patients
por: Brunialti, M, et al.
Publicado: (2006)

“Screening at the door” - continuous rapid molecular screening for MRSA at emergency department is efficacious and effective
por: Ang, BSP, et al.
Publicado: (2015)

Combining pharmacophore- and MD-based modelling for phase II metabolism prediction
por: Rakers, Christin, et al.
Publicado: (2014)

Cannot write session to /tmp/vufind_sessions/sess_9jeu8e740kcg1b8jeu0460ck1i