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Searching therapeutic agents for treatment of Alzheimer disease using the Monte Carlo method
MA. Toropova, AA. Toropov, I. Raška, M. Rašková,
Language English Country United States
Document type Journal Article, Research Support, Non-U.S. Gov't
NLK
ProQuest Central
from 2003-01-01 to 2023-12-31
Medline Complete (EBSCOhost)
from 2012-09-01 to 2015-07-31
Nursing & Allied Health Database (ProQuest)
from 2003-01-01 to 2023-12-31
Health & Medicine (ProQuest)
from 2003-01-01 to 2023-12-31
- MeSH
- Alzheimer Disease drug therapy MeSH
- Quantitative Structure-Activity Relationship MeSH
- Humans MeSH
- Monte Carlo Method MeSH
- Drug Discovery methods MeSH
- Amyloid Precursor Protein Secretases * antagonists & inhibitors chemistry metabolism MeSH
- Software MeSH
- Computational Biology methods MeSH
- Check Tag
- Humans MeSH
- Publication type
- Journal Article MeSH
- Research Support, Non-U.S. Gov't MeSH
Quantitative structure - activity relationships (QSARs) for the pIC50 (binding affinity) of gamma-secretase inhibitors can be constructed with the Monte Carlo method using CORAL software (http://www.insilico.eu/coral). The considerable influence of the presence of rings of various types with respect to the above endpoint has been detected. The mechanistic interpretation and the domain of applicability of the QSARs are discussed. Methods to select new potential gamma-secretase inhibitors are suggested.
References provided by Crossref.org
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