Quantum-SAR Extension of the Spectral-SAR Algorithm. Application to Polyphenolic Anticancer Bioactivity

Aiming to assess the role of individual molecular structures in the molecular mechanism of ligand-receptor interaction correlation analysis, the recent Spectral-SAR approach is employed to introduce the Quantum-SAR (QuaSAR) “wave” and “conversion factor” in terms of difference between inter-endpoint...

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Autores principales: Putz, Mihai V., Putz, Ana-Maria, Lazea, Marius, Ienciu, Luciana, Chiriac, Adrian
Formato: Texto
Lenguaje:English
Publicado: Molecular Diversity Preservation International (MDPI) 2009
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2672025/
https://www.ncbi.nlm.nih.gov/pubmed/19399244
http://dx.doi.org/10.3390/ijms10031193
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author Putz, Mihai V.
Putz, Ana-Maria
Lazea, Marius
Ienciu, Luciana
Chiriac, Adrian
author_facet Putz, Mihai V.
Putz, Ana-Maria
Lazea, Marius
Ienciu, Luciana
Chiriac, Adrian
author_sort Putz, Mihai V.
collection PubMed
description Aiming to assess the role of individual molecular structures in the molecular mechanism of ligand-receptor interaction correlation analysis, the recent Spectral-SAR approach is employed to introduce the Quantum-SAR (QuaSAR) “wave” and “conversion factor” in terms of difference between inter-endpoint inter-molecular activities for a given set of compounds; this may account for inter-conversion (metabolization) of molecular (concentration) effects while indicating the structural (quantum) based influential/detrimental role on bio-/eco- effect in a causal manner rather than by simple inspection of measured values; the introduced QuaSAR method is then illustrated for a study of the activity of a series of flavonoids on breast cancer resistance protein.
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spelling pubmed-26720252009-04-27 Quantum-SAR Extension of the Spectral-SAR Algorithm. Application to Polyphenolic Anticancer Bioactivity Putz, Mihai V. Putz, Ana-Maria Lazea, Marius Ienciu, Luciana Chiriac, Adrian Int J Mol Sci Article Aiming to assess the role of individual molecular structures in the molecular mechanism of ligand-receptor interaction correlation analysis, the recent Spectral-SAR approach is employed to introduce the Quantum-SAR (QuaSAR) “wave” and “conversion factor” in terms of difference between inter-endpoint inter-molecular activities for a given set of compounds; this may account for inter-conversion (metabolization) of molecular (concentration) effects while indicating the structural (quantum) based influential/detrimental role on bio-/eco- effect in a causal manner rather than by simple inspection of measured values; the introduced QuaSAR method is then illustrated for a study of the activity of a series of flavonoids on breast cancer resistance protein. Molecular Diversity Preservation International (MDPI) 2009-03-16 /pmc/articles/PMC2672025/ /pubmed/19399244 http://dx.doi.org/10.3390/ijms10031193 Text en © 2009 by the authors; licensee Molecular Diversity Preservation International, Basel, Switzerland. This article is an open-access article distributed under the terms and conditions of the Creative Commons Attribution license (http://creativecommons.org/licenses/by/3.0/). This article is an open-access article distributed under the terms and conditions of the Creative Commons Attribution license (http://creativecommons.org/licenses/by/3.0/).
spellingShingle Article
Putz, Mihai V.
Putz, Ana-Maria
Lazea, Marius
Ienciu, Luciana
Chiriac, Adrian
Quantum-SAR Extension of the Spectral-SAR Algorithm. Application to Polyphenolic Anticancer Bioactivity
title Quantum-SAR Extension of the Spectral-SAR Algorithm. Application to Polyphenolic Anticancer Bioactivity
title_full Quantum-SAR Extension of the Spectral-SAR Algorithm. Application to Polyphenolic Anticancer Bioactivity
title_fullStr Quantum-SAR Extension of the Spectral-SAR Algorithm. Application to Polyphenolic Anticancer Bioactivity
title_full_unstemmed Quantum-SAR Extension of the Spectral-SAR Algorithm. Application to Polyphenolic Anticancer Bioactivity
title_short Quantum-SAR Extension of the Spectral-SAR Algorithm. Application to Polyphenolic Anticancer Bioactivity
title_sort quantum-sar extension of the spectral-sar algorithm. application to polyphenolic anticancer bioactivity
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2672025/
https://www.ncbi.nlm.nih.gov/pubmed/19399244
http://dx.doi.org/10.3390/ijms10031193
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