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Molecular Structure, Binding Affinity, and Biological Activity in the Epigenome

Development of valid structure–activity relationships (SARs) is a key to the elucidation of pathomechanisms of epigenetic diseases and the development of efficient, new drugs. The present review is based on selected methodologies and applications supplying molecular structure, binding affinity and b...

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Detalles Bibliográficos
Autores principales: Zsidó, Balázs Zoltán, Hetényi, Csaba
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7311975/
https://www.ncbi.nlm.nih.gov/pubmed/32531926
http://dx.doi.org/10.3390/ijms21114134
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author Zsidó, Balázs Zoltán
Hetényi, Csaba
author_facet Zsidó, Balázs Zoltán
Hetényi, Csaba
author_sort Zsidó, Balázs Zoltán
collection PubMed
description Development of valid structure–activity relationships (SARs) is a key to the elucidation of pathomechanisms of epigenetic diseases and the development of efficient, new drugs. The present review is based on selected methodologies and applications supplying molecular structure, binding affinity and biological activity data for the development of new SARs. An emphasis is placed on emerging trends and permanent challenges of new discoveries of SARs in the context of proteins as epigenetic drug targets. The review gives a brief overview and classification of the molecular background of epigenetic changes, and surveys both experimental and theoretical approaches in the field. Besides the results of sophisticated, cutting edge techniques such as cryo-electron microscopy, protein crystallography, and isothermal titration calorimetry, examples of frequently used assays and fast screening techniques are also selected. The review features how different experimental methods and theoretical approaches complement each other and result in valid SARs of the epigenome.
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spelling pubmed-73119752020-06-25 Molecular Structure, Binding Affinity, and Biological Activity in the Epigenome Zsidó, Balázs Zoltán Hetényi, Csaba Int J Mol Sci Review Development of valid structure–activity relationships (SARs) is a key to the elucidation of pathomechanisms of epigenetic diseases and the development of efficient, new drugs. The present review is based on selected methodologies and applications supplying molecular structure, binding affinity and biological activity data for the development of new SARs. An emphasis is placed on emerging trends and permanent challenges of new discoveries of SARs in the context of proteins as epigenetic drug targets. The review gives a brief overview and classification of the molecular background of epigenetic changes, and surveys both experimental and theoretical approaches in the field. Besides the results of sophisticated, cutting edge techniques such as cryo-electron microscopy, protein crystallography, and isothermal titration calorimetry, examples of frequently used assays and fast screening techniques are also selected. The review features how different experimental methods and theoretical approaches complement each other and result in valid SARs of the epigenome. MDPI 2020-06-10 /pmc/articles/PMC7311975/ /pubmed/32531926 http://dx.doi.org/10.3390/ijms21114134 Text en © 2020 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Review
Zsidó, Balázs Zoltán
Hetényi, Csaba
Molecular Structure, Binding Affinity, and Biological Activity in the Epigenome
title Molecular Structure, Binding Affinity, and Biological Activity in the Epigenome
title_full Molecular Structure, Binding Affinity, and Biological Activity in the Epigenome
title_fullStr Molecular Structure, Binding Affinity, and Biological Activity in the Epigenome
title_full_unstemmed Molecular Structure, Binding Affinity, and Biological Activity in the Epigenome
title_short Molecular Structure, Binding Affinity, and Biological Activity in the Epigenome
title_sort molecular structure, binding affinity, and biological activity in the epigenome
topic Review
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7311975/
https://www.ncbi.nlm.nih.gov/pubmed/32531926
http://dx.doi.org/10.3390/ijms21114134
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