Cargando…

Design of dual ligands using excessive pharmacophore query alignment

Detalles Bibliográficos
Autores principales:	Moser, Daniel, Wisniewska, Joanna, Hahn, Steffen, la Buscató, Estel, Klingler, Franca-Maria, Achenbach, Janosch, Hofmann, Bettina, Steinhilber, Dieter, Proschak, Ewgenij
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	BioMed Central 2012
Materias:	Oral Presentation
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3341298/ http://dx.doi.org/10.1186/1758-2946-4-S1-O11

Ejemplares similares

Fragment-based identification of multi-target ligands by self-organizing map alignment
por: Achenbach, Janosch, et al.
Publicado: (2012)

In silico polypharmacology: retrospective recognition vs. rational design
por: Proschak, Ewgenij
Publicado: (2014)

Heterodimer formation with retinoic acid receptor RXRα modulates coactivator recruitment by peroxisome proliferator-activated receptor PPARγ
por: Kilu, Whitney, et al.
Publicado: (2021)

Development and in vitro Profiling of Dual FXR/LTA4H Modulators
por: Schierle, Simone, et al.
Publicado: (2021)

NSAIDs Ibuprofen, Indometacin, and Diclofenac do not interact with Farnesoid X Receptor
por: Schmidt, Jurema, et al.
Publicado: (2015)

Zafirlukast Is a Dual Modulator of Human Soluble Epoxide Hydrolase and Peroxisome Proliferator-Activated Receptor γ
por: Göbel, Tamara, et al.
Publicado: (2019)

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

Design, Synthesis and Cellular Characterization of a Dual Inhibitor of 5-Lipoxygenase and Soluble Epoxide Hydrolase
por: Meirer, Karin, et al.
Publicado: (2016)

Search for the Pharmacophore of Histone Deacetylase Inhibitors Using Pharmacophore Query and Docking Study
por: Haji Agha Bozorgi, Atefeh, et al.
Publicado: (2014)

Systematic Assessment of Fragment Identification for Multitarget Drug Design
por: Brunst, Steffen, et al.
Publicado: (2021)

KRIPO – a structure-based pharmacophores approach explains polypharmacological effects
por: Ritschel, Tina, et al.
Publicado: (2014)

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

PADI4 acts as a coactivator of Tal1 by counteracting repressive histone arginine methylation
por: Kolodziej, Stephan, et al.
Publicado: (2014)

PocketPicker: analysis of ligand binding-sites with shape descriptors
por: Weisel, Martin, et al.
Publicado: (2007)

Generation of structure-based pharmacophores using energetic analysis – application on fragment docking
por: Loving, Kathryn, et al.
Publicado: (2011)

SBE13, a newly identified inhibitor of inactive polo-like kinase 1
por: Keppner, Sarah, et al.
Publicado: (2010)

Multi-Target Approaches in Metabolic Syndrome
por: Lillich, Felix F., et al.
Publicado: (2021)

Virtual screening using structure-based consensus pharmacophore models and ensemble docking based on MD-generated conformations
por: Koch, Oliver, et al.
Publicado: (2011)

DeCAF—Discrimination, Comparison, Alignment Tool for 2D PHarmacophores
por: Stepniewska-Dziubinska, Marta M., et al.
Publicado: (2017)

A Diverse Benchmark Based on 3D Matched Molecular Pairs for Validating Scoring Functions
por: Kalinowsky, Lena, et al.
Publicado: (2018)

Integrating Siderophore Substructures in Thiol-Based Metallo-β-Lactamase Inhibitors
por: Rotter, Marco J., et al.
Publicado: (2023)

Rational, computer-aided design of multi-target ligands
por: Achenbach, J, et al.
Publicado: (2011)

A 3D-QSAR model for cannabinoid receptor (CB2) ligands derived from aligned pharmacophors
por: Günther, Robert, et al.
Publicado: (2013)

There is an excess of surgical site infections in Argentina
por: Quirós, RE
Publicado: (2015)

pharmACOphore: multiple flexible ligand alignment based on ant colony optimization
por: Hessler, Gerhard, et al.
Publicado: (2010)

Scaffold Hopping from Amodiaquine to Novel Nurr1 Agonist Chemotypes via Microscale Analogue Libraries
por: Willems, Sabine, et al.
Publicado: (2022)

Kohdista: an efficient method to index and query possible Rmap alignments
por: Muggli, Martin D., et al.
Publicado: (2019)

Sagittal spinal alignment and ambulation
por: Ishii, Keiji, et al.
Publicado: (2015)

The endocannabinoid anandamide has an anti-inflammatory effect on CCL2 expression in vascular smooth muscle cells
por: Pflüger-Müller, Beatrice, et al.
Publicado: (2020)

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

Activity Screening of Fatty Acid Mimetic Drugs Identified Nuclear Receptor Agonists
por: Helmstädter, Moritz, et al.
Publicado: (2022)

Phenolate‐Induced N−O Bond Formation versus TiemannType Rearrangement for the Synthesis of 3‐Aminobenzisoxazoles and 2‐Aminobenzoxazoles
por: Hufnagel, Benedikt, et al.
Publicado: (2022)

8. Combining Search Query Data with Operation Smile and Smile Train Outreach to Better Understand Global Cleft Surgical Care
por: Weissman, Joshua P., et al.
Publicado: (2022)

The effects of excess weight on cardiac strain and steatosis in adults and children
por: Banerjee, Rajarshi, et al.
Publicado: (2013)

Corbi: a new R package for biological network alignment and querying
por: Huang, Qiang, et al.
Publicado: (2013)

Rh(II)‐Catalyzed De‐symmetrization of Ethane‐1,2‐dithiol and Propane‐1,3‐dithiol Yields Metallo‐β‐lactamase Inhibitors
por: Krasavin, Mikhail, et al.
Publicado: (2021)

Reversible Small Molecule Inhibitors of MAO A and MAO B with Anilide Motifs
por: Hagenow, Jens, et al.
Publicado: (2020)

Greedy 3-Point Search (G3PS)—A Novel Algorithm for Pharmacophore Alignment
por: Permann, Christian, et al.
Publicado: (2021)

Aligning chemical structure diagrams with local search
por: Hilbig, Matthias, et al.
Publicado: (2012)

Cardiac steatosis is associated with excess body weight in otherwise healthy adults
por: Banerjee, Rajarshi, et al.
Publicado: (2011)

Cannot write session to /tmp/vufind_sessions/sess_47c942qfi4r2i9vf40av08f5ko