Acetylcholinesterase Inhibitors: Structure Based Design, Synthesis, Pharmacophore Modeling, and Virtual Screening
- Author
- VALASANI, Koteswara Rao1 ; CHANEY, Michael O1 ; DAY, Victor W2 ; YAN, Shirley Shidu1
[1] Department of Pharmacology & Toxicology and Higuchi Bioscience Center, School of Pharmacy, University of Kansas, Lawrence, Kansas 66047, United States
[2] Department of Chemistry, University of Kansas, Lawrence, Kansas 66047, United States - Source
Journal of chemical information and modeling. 2013, Vol 53, Num 8, pp 2033-2046, 14 p ; ref : 74 ref
- ISSN
- 1549-9596
- Scientific domain
- Chemistry; Computer science
- Publisher
- American Chemical Society, Washington, DC
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Activité Analyse composante principale Analyse corrélation Analyse statistique Approche probabiliste Chimie informatique Criblage virtuel Démence d'Alzheimer Ensemble indépendant Etude expérimentale Inhibition Modélisation Métabolisme Pharmacophore Physique moléculaire Relation structure activité Relation structure propriété Solvatation Sélectivité Traitement Structure état solide
- Keyword (en)
- Activity Principal component analysis Correlation analysis Statistical analysis Probabilistic approach Computational chemistry Virtual screening Alzheimer disease Independent set Experimental study Inhibition Modeling Metabolism Pharmacophore Molecular physics Structure activity relation Property structure relationship Solvation Selectivity Treatment Solid structure
- Keyword (es)
- Actividad Análisis componente principal Análisis correlación Análisis estadístico Enfoque probabilista Química informática Cribado virtual Demencia Alzheimer Conjunto independiente Estudio experimental Inhibición Modelización Metabolismo Farmacofóro Física molecular Relación estructura actividad Relación estructura propiedad Solvatación Selectividad Tratamiento Estructura estado sólido
- Classification
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C01 General and physical chemistry / 001C01A Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry / 001C01A01 General. Nomenclature, chemical documentation, computer chemistry
- Pascal
- 001 Exact sciences and technology / 001D Applied sciences / 001D02 Computer science; control theory; systems / 001D02B Software / 001D02B07 Memory organisation. Data processing / 001D02B07B Data processing. List processing. Character string processing
- Pascal
- 001 Exact sciences and technology / 001D Applied sciences / 001D02 Computer science; control theory; systems / 001D02B Software / 001D02B08 Simulation
- Pascal
- 002 Biological and medical sciences / 002B Medical sciences / 002B02 Pharmacology. Drug treatments / 002B02A General pharmacology / 002B02A03 Pharmaceutical technology. Pharmaceutical industry
- Discipline
- Computer science : theoretical automation and systems General chemistry and physical chemistry General pharmacology
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 27682811
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1021/ci400196z 
https://dx.doi.org/10.1021/ci400196z
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