Cargando…

EDULISS: a small-molecule database with data-mining and pharmacophore searching capabilities

We present the relational database EDULISS (EDinburgh University Ligand Selection System), which stores structural, physicochemical and pharmacophoric properties of small molecules. The database comprises a collection of over 4 million commercially available compounds from 28 different suppliers. A...

Descripción completa

Detalles Bibliográficos
Autores principales:	Hsin, Kun-Yi, Morgan, Hugh P., Shave, Steven R., Hinton, Andrew C., Taylor, Paul, Walkinshaw, Malcolm D.
Formato:	Texto
Lenguaje:	English
Publicado:	Oxford University Press 2011
Materias:	Articles
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3013767/ https://www.ncbi.nlm.nih.gov/pubmed/21051336 http://dx.doi.org/10.1093/nar/gkq878

Ejemplares similares

ZINCPharmer: pharmacophore search of the ZINC database
por: Koes, David Ryan, et al.
Publicado: (2012)

Molecule database framework: a framework for creating database applications with chemical structure search capability
por: Kiener, Joos
Publicado: (2013)

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

UFSRAT: Ultra-Fast Shape Recognition with Atom Types –The Discovery of Novel Bioactive Small Molecular Scaffolds for FKBP12 and 11βHSD1
por: Shave, Steven, et al.
Publicado: (2015)

Screening of caspase-3 inhibitors from natural molecule database using e-pharmacophore and docking studies
por: Eda, Sasidhar Reddy, et al.
Publicado: (2019)

A database for the predicted pharmacophoric features of medicinal compounds
por: Daisy, Pitchai, et al.
Publicado: (2011)

Development of Pharmacophore Model for Indeno[1,2-b]indoles as Human Protein Kinase CK2 Inhibitors and Database Mining
por: Haidar, Samer, et al.
Publicado: (2017)

Database on pharmacophore analysis of active principles, from medicinal plants
por: Pitchai, Daisy, et al.
Publicado: (2010)

Multiple spatially related pharmacophores define small molecule inhibitors of OLIG2 in glioblastoma
por: Tsigelny, Igor F., et al.
Publicado: (2015)

Common Pharmacophore of Structurally Distinct Small-Molecule Inhibitors of Intracellular Retrograde Trafficking of Ribosome Inactivating Proteins
por: Yu, Shichao, et al.
Publicado: (2013)

A surface plasmon resonance-based assay for small molecule inhibitors of human cyclophilin A
por: Wear, Martin A., et al.
Publicado: (2005)

Correction: Kutlushina, A., et al. Ligand-Based Pharmacophore Modeling Using Novel 3D Pharmacophore Signatures. Molecules, 2018, 23, 3094
por: Kutlushina, Alina, et al.
Publicado: (2019)

Quantitative Microdialysis: Experimental Protocol and Software for Small Molecule Protein Affinity Determination and for Exclusion of Compounds with Poor Physicochemical Properties
por: Shave, Steven, et al.
Publicado: (2020)

Galileo: Three-dimensional searching in large combinatorial fragment spaces on the example of pharmacophores
por: Meyenburg, Christian, et al.
Publicado: (2022)

Discovery of a new class of inhibitors for the protein arginine deiminase type 4 (PAD4) by structure-based virtual screening
por: Teo, Chian Ying, et al.
Publicado: (2012)

Topological pharmacophores: pros & cons of QSARs based on 2D pharmacophore fingerprints
por: Horvath, D
Publicado: (2008)

Ligand-Based Pharmacophore Modeling Using Novel 3D Pharmacophore Signatures
por: Kutlushina, Alina, et al.
Publicado: (2018)

Receptor-Based Pharmacophore Modeling in the Search for Natural Products for COVID-19 M(pro)
por: Saeed, Mohd, et al.
Publicado: (2021)

Virtual screening and pharmacophore studies for ftase inhibitors using Indian plant anticancer compounds database
por: Khan, Abdul Hafeez, et al.
Publicado: (2010)

Discovery of New Small Molecule Hits as Hepatitis B Virus Capsid Assembly Modulators: Structure and Pharmacophore-Based Approaches
por: Senaweera, Sameera, et al.
Publicado: (2021)

Pharmacophore Models and Pharmacophore-Based Virtual Screening: Concepts and Applications Exemplified on Hydroxysteroid Dehydrogenases
por: Kaserer, Teresa, et al.
Publicado: (2015)

In vitro selection of an XNA aptamer capable of small-molecule recognition
por: Rangel, Alexandra E, et al.
Publicado: (2018)

Identification of small molecules capable of enhancing viral membrane fusion
por: García-Murria, Mª Jesús, et al.
Publicado: (2023)

Multiple chemical scaffolds inhibit a promising Leishmania drug target
por: Walkinshaw, Malcolm
Publicado: (2014)

From intuition to AI: evolution of small molecule representations in drug discovery
por: McGibbon, Miles, et al.
Publicado: (2023)

Towards a Pharmacophore for Amyloid
por: Landau, Meytal, et al.
Publicado: (2011)

Towards a partial order graph for interactive pharmacophore exploration: extraction of pharmacophores activity delta
por: Lehembre, Etienne, et al.
Publicado: (2023)

Machine learning for data mining: improve your data mining capabilities with advanced predictive modeling
por: Salcedo, Jesus
Publicado: (2019)

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

Use of large multiconformational databases with structure-based pharmacophore models for fast screening of commercial compound collections
por: Del Rio, A, et al.
Publicado: (2011)

Tough Mining: The challenges of searching the scientific literature
por: Dickman, Steven
Publicado: (2003)

Understanding the Capability of an Ecosystem Nature-Restoration in Coal Mined Area
por: Cui, Xiaoqin, et al.
Publicado: (2019)

Pharmacophore Directed Screening of Agonistic Natural Molecules Showing Affinity to 5HT(2C) Receptor
por: Veeramachaneni, Ganesh Kumar, et al.
Publicado: (2019)

Mechanistic and Predictive QSAR Analysis of Diverse Molecules to Capture Salient and Hidden Pharmacophores for Anti-Thrombotic Activity
por: Zaki, Magdi E. A., et al.
Publicado: (2021)

Novel Small Molecules Capable of Blocking mtRAS-Signaling Pathway
por: Kim, Namkyoung, et al.
Publicado: (2021)

Web searching and mining
por: Mukhopadhyay, Debajyoti
Publicado: (2019)

Identifying Compound-Target Associations by Combining Bioactivity Profile Similarity Search and Public Databases Mining
por: Cheng, Tiejun, et al.
Publicado: (2011)

The Nucleic Acid Database: new features and capabilities
por: Coimbatore Narayanan, Buvaneswari, et al.
Publicado: (2014)

Internet Databases of the Properties, Enzymatic Reactions, and Metabolism of Small Molecules—Search Options and Applications in Food Science
por: Minkiewicz, Piotr, et al.
Publicado: (2016)

SMPDB: The Small Molecule Pathway Database
por: Frolkis, Alex, et al.
Publicado: (2010)

Cannot write session to /tmp/vufind_sessions/sess_t12kjd8v3kaa5me1svo11cs0es