Premium
The MIA‐QSAR Method for the Prediction of Bioactivities of Possible Acetylcholinesterase Inhibitors
Author(s) -
Bitencourt Michelle,
Freitas Matheus P.,
Rittner Roberto
Publication year - 2012
Publication title -
archiv der pharmazie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.468
H-Index - 61
eISSN - 1521-4184
pISSN - 0365-6233
DOI - 10.1002/ardp.201200079
Subject(s) - quantitative structure–activity relationship , acetylcholinesterase , in silico , chemistry , computational biology , combinatorial chemistry , stereochemistry , biochemistry , biology , enzyme , gene
This paper describes the use of the multivariate image analysis‐quantitative structure–activity relationship (MIA‐QSAR) methodology, which is a method capable of relating chemical structures with their biological activities. This in silico method has been shown to be extremely reliable and provides excellent results, even compared to those obtained by costly and time‐consuming methods. Here, a class of acetylcholinesterase inhibitors was studied and three new compounds exhibiting high estimated pIC 50 values were found. They may be promising inhibitors for use in the treatment of Alzheimer's disease.