The role of metal ions in G protein‐coupled receptor signalling and drug discovery
Metal ions, such as Na+, Mg2+, Ca2+, and Zn2+, are highly abundant in biological systems. For many G protein‐coupled receptors (GPCRs), metal ions, especially Na+, have been found to stabilize the receptors' inactivate state preventing receptor activation. Besides this role, recent studies indi...
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| Veröffentlicht in: | Wiley interdisciplinary reviews. Computational molecular science 2022-03, Vol.12 (2), p.e1565-n/a |
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| creator | Zou, Rongfeng Wang, Xueying Li, Shu Chan, H. C. Stephen Vogel, Horst Yuan, Shuguang |
| description | Metal ions, such as Na+, Mg2+, Ca2+, and Zn2+, are highly abundant in biological systems. For many G protein‐coupled receptors (GPCRs), metal ions, especially Na+, have been found to stabilize the receptors' inactivate state preventing receptor activation. Besides this role, recent studies indicated that metal ions can modulate ligand–GPCR interactions allosterically. These findings on ion‐mediated GPCR signaling open new vistas for understanding the functioning of GPCRs and further could help in designing potent therapeutic compounds targeting GPCRs. Here we report on recent findings about role of orthosteric and allosteric metal ions in GPCR signaling and drug discovery.
This article is categorized under:
Structure and Mechanism > Molecular Structures
Molecular and Statistical Mechanics > Molecular Mechanics
Molecular and Statistical Mechanics > Molecular Interactions
The orthosteric metal ion (yellow sparking sphere) enhances the ligand binding of a G protein‐coupled receptor (GPCR) (white cartoon), whereas the allosteric sodium ion (purple sphere) stabilizes the inactive GPCR state. |
| doi_str_mv | 10.1002/wcms.1565 |
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This article is categorized under:
Structure and Mechanism > Molecular Structures
Molecular and Statistical Mechanics > Molecular Mechanics
Molecular and Statistical Mechanics > Molecular Interactions
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This article is categorized under:
Structure and Mechanism > Molecular Structures
Molecular and Statistical Mechanics > Molecular Mechanics
Molecular and Statistical Mechanics > Molecular Interactions
The orthosteric metal ion (yellow sparking sphere) enhances the ligand binding of a G protein‐coupled receptor (GPCR) (white cartoon), whereas the allosteric sodium ion (purple sphere) stabilizes the inactive GPCR state.</description><subject>allosteric ions</subject><subject>Allosteric properties</subject><subject>Calcium ions</subject><subject>Chemical compounds</subject><subject>Coupling (molecular)</subject><subject>Drug discovery</subject><subject>Drugs</subject><subject>G protein-coupled receptors</subject><subject>GPCRs</subject><subject>Magnesium</subject><subject>Mechanics</subject><subject>Metal ions</subject><subject>Metals</subject><subject>molecular dynamics simulation</subject><subject>Molecular interactions</subject><subject>Molecular structure</subject><subject>orthosteric ions</subject><subject>Pharmacology</subject><subject>Proteins</subject><subject>Receptor mechanisms</subject><subject>Receptors</subject><subject>Signaling</subject><subject>Sodium</subject><subject>Statistical mechanics</subject><subject>Statistics</subject><subject>structural biology</subject><subject>Zinc</subject><issn>1759-0876</issn><issn>1759-0884</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2022</creationdate><recordtype>article</recordtype><recordid>eNp1kL1OwzAUhS0EElXpwBtYYmII9U-cOCOqoCAVMVDEaDnJTXHlxsFOqLrxCDwjT4JLERt3uXf4zrlHB6FzSq4oIWy6rTbhiopMHKERzUWRECnT4787z07RJIQ1iZMWlHE6QsvlK2DvLGDX4A302mLj2oBNi-e4864H0359fFZu6CzU2EMFXe88DmbVamtNu8K6rXHthxWuTajcO_jdGTpptA0w-d1j9Hx7s5zdJYvH-f3sepFUrMhFAjTLiOSM8bLUNWclSEYbAqBFKlPORASK-JAIKJu04DKK6kyysihKqqngY3Rx8I1B3wYIvVq7wcdcQbGM5yL6R9kYXR6oyrsQPDSq82aj_U5Rova9qX1vat9bZKcHdmss7P4H1cvs4elH8Q1IwG_t</recordid><startdate>202203</startdate><enddate>202203</enddate><creator>Zou, Rongfeng</creator><creator>Wang, Xueying</creator><creator>Li, Shu</creator><creator>Chan, H. 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Stephen</au><au>Vogel, Horst</au><au>Yuan, Shuguang</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>The role of metal ions in G protein‐coupled receptor signalling and drug discovery</atitle><jtitle>Wiley interdisciplinary reviews. Computational molecular science</jtitle><date>2022-03</date><risdate>2022</risdate><volume>12</volume><issue>2</issue><spage>e1565</spage><epage>n/a</epage><pages>e1565-n/a</pages><issn>1759-0876</issn><eissn>1759-0884</eissn><abstract>Metal ions, such as Na+, Mg2+, Ca2+, and Zn2+, are highly abundant in biological systems. For many G protein‐coupled receptors (GPCRs), metal ions, especially Na+, have been found to stabilize the receptors' inactivate state preventing receptor activation. Besides this role, recent studies indicated that metal ions can modulate ligand–GPCR interactions allosterically. These findings on ion‐mediated GPCR signaling open new vistas for understanding the functioning of GPCRs and further could help in designing potent therapeutic compounds targeting GPCRs. Here we report on recent findings about role of orthosteric and allosteric metal ions in GPCR signaling and drug discovery.
This article is categorized under:
Structure and Mechanism > Molecular Structures
Molecular and Statistical Mechanics > Molecular Mechanics
Molecular and Statistical Mechanics > Molecular Interactions
The orthosteric metal ion (yellow sparking sphere) enhances the ligand binding of a G protein‐coupled receptor (GPCR) (white cartoon), whereas the allosteric sodium ion (purple sphere) stabilizes the inactive GPCR state.</abstract><cop>Hoboken, USA</cop><pub>Wiley Periodicals, Inc</pub><doi>10.1002/wcms.1565</doi><tpages>12</tpages><orcidid>https://orcid.org/0000-0001-9858-4742</orcidid></addata></record> |
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| subjects | allosteric ions Allosteric properties Calcium ions Chemical compounds Coupling (molecular) Drug discovery Drugs G protein-coupled receptors GPCRs Magnesium Mechanics Metal ions Metals molecular dynamics simulation Molecular interactions Molecular structure orthosteric ions Pharmacology Proteins Receptor mechanisms Receptors Signaling Sodium Statistical mechanics Statistics structural biology Zinc |
| title | The role of metal ions in G protein‐coupled receptor signalling and drug discovery |
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