Prediction of biological activity profiles of cyanobacterial secondary metabolites

Over the past decade cyanobacteria have become an interesting source of new classes of pharmacologically active natural products. Some cyanobacterial secondary metabolites (CSMs) are also well known for their toxic effects on living species. The PASS (Prediction of Activity Spectra for Substances) c...

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Published in:SAR and QSAR in environmental research 2007-10, Vol.18 (7-8), p.629-643
Main Authors: Devillers, J., Doré, J. C., Guyot, M., Poroikov, V., Gloriozova, T., Lagunin, A., Filimonov, D.
Format: Article
Language:English
Subjects:
Biological Products - chemistry
Biological Products - isolation & purification
Biological Products - pharmacology
Cyanobacteria
Cyanobacteria - chemistry
Cyanobacteria - metabolism
Forecasting - methods
Molecular Structure
Multivariate analyses
Noncongeneric SAR
PASS program
Secondary metabolites
Software
Structure-Activity Relationship
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cited_by cdi_FETCH-LOGICAL-c466t-6fab7473c63786b8573deb688b45a3db553fdc7d446c8d91e3e065a42575ab893
cites cdi_FETCH-LOGICAL-c466t-6fab7473c63786b8573deb688b45a3db553fdc7d446c8d91e3e065a42575ab893
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container_issue 7-8
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container_title SAR and QSAR in environmental research
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creator Devillers, J.
Doré, J. C.
Guyot, M.
Poroikov, V.
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Lagunin, A.
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description Over the past decade cyanobacteria have become an interesting source of new classes of pharmacologically active natural products. Some cyanobacterial secondary metabolites (CSMs) are also well known for their toxic effects on living species. The PASS (Prediction of Activity Spectra for Substances) computer program, which is able to simultaneously predict more than one thousand biological and toxicological activities from only the structural formulas of the chemicals, was used to predict the biological activity profile of 681 CSMs. Multivariate methods were employed to structure and analyse this wealth of biological and chemical information. PASS predictions were successfully compared to the available information on the pharmacological and toxicological activity of these compounds.
doi_str_mv 10.1080/10629360701698704
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subjects Biological Products - chemistry
Biological Products - isolation & purification
Biological Products - pharmacology
Cyanobacteria
Cyanobacteria - chemistry
Cyanobacteria - metabolism
Forecasting - methods
Molecular Structure
Multivariate analyses
Noncongeneric SAR
PASS program
Secondary metabolites
Software
Structure-Activity Relationship
title Prediction of biological activity profiles of cyanobacterial secondary metabolites
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