Protein contact network topology: a natural language for allostery
•The paper surveys the most recent applications of graph theory to protein allostery.•The reunification of allostery molecular models passes through topology of protein graphs.•The application of graph theory to drug discovery could produce important results. Protein molecules work as a whole, so th...
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| Published in | Current opinion in structural biology Vol. 31; pp. 43 - 48 |
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| Main Authors | , |
| Format | Journal Article |
| Language | English |
| Published |
England
Elsevier Ltd
01.04.2015
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| Subjects | |
| Online Access | Get full text |
| ISSN | 0959-440X 1879-033X |
| DOI | 10.1016/j.sbi.2015.03.001 |
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| Abstract | •The paper surveys the most recent applications of graph theory to protein allostery.•The reunification of allostery molecular models passes through topology of protein graphs.•The application of graph theory to drug discovery could produce important results.
Protein molecules work as a whole, so that any local perturbation may resonate on the entire structure: allostery deals with this general property of protein molecules. It is worth noting a perturbation does not necessarily involve a conformational change but, more generally, it travels across the structure as an ‘energy signal’. The atomic interactions within the network provide the structural support for this ‘signaling highway’. Network descriptors, capturing network signaling efficiency, explain allostery in terms of signal transmission.
In this review we will survey the key applications of graph theory to protein allostery. The complex network approach introduces a new perspective in biochemistry; as for applications, the development of new drugs relying on allosteric effects (allo-network drugs) represents a promising avenue of contact network formalism. |
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| AbstractList | Protein molecules work as a whole, so that any local perturbation may resonate on the entire structure: allostery deals with this general property of protein molecules. It is worth noting a perturbation does not necessarily involve a conformational change but, more generally, it travels across the structure as an 'energy signal'. The atomic interactions within the network provide the structural support for this 'signaling highway'. Network descriptors, capturing network signaling efficiency, explain allostery in terms of signal transmission. In this review we will survey the key applications of graph theory to protein allostery. The complex network approach introduces a new perspective in biochemistry; as for applications, the development of new drugs relying on allosteric effects (allo-network drugs) represents a promising avenue of contact network formalism. •The paper surveys the most recent applications of graph theory to protein allostery.•The reunification of allostery molecular models passes through topology of protein graphs.•The application of graph theory to drug discovery could produce important results. Protein molecules work as a whole, so that any local perturbation may resonate on the entire structure: allostery deals with this general property of protein molecules. It is worth noting a perturbation does not necessarily involve a conformational change but, more generally, it travels across the structure as an ‘energy signal’. The atomic interactions within the network provide the structural support for this ‘signaling highway’. Network descriptors, capturing network signaling efficiency, explain allostery in terms of signal transmission. In this review we will survey the key applications of graph theory to protein allostery. The complex network approach introduces a new perspective in biochemistry; as for applications, the development of new drugs relying on allosteric effects (allo-network drugs) represents a promising avenue of contact network formalism. |
| Author | Giuliani, Alessandro Di Paola, Luisa |
| Author_xml | – sequence: 1 givenname: Luisa orcidid: 0000-0001-5329-8689 surname: Di Paola fullname: Di Paola, Luisa email: l.dipaola@unicampus.it organization: Faculty of Engineering, Università CAMPUS Bio-Medico, Via A. del Portillo, 21, 00128 Rome, Italy – sequence: 2 givenname: Alessandro surname: Giuliani fullname: Giuliani, Alessandro organization: Environment and Health Department, Istituto Superiore di Sanità, Viale Regina Elena, 299, 00161 Roma, Italy |
| BackLink | https://www.ncbi.nlm.nih.gov/pubmed/25796032$$D View this record in MEDLINE/PubMed |
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| Snippet | •The paper surveys the most recent applications of graph theory to protein allostery.•The reunification of allostery molecular models passes through topology... Protein molecules work as a whole, so that any local perturbation may resonate on the entire structure: allostery deals with this general property of protein... |
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| SubjectTerms | Allosteric Regulation Protein Interaction Maps Proteins - chemistry Proteins - metabolism |
| Title | Protein contact network topology: a natural language for allostery |
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