Are Two Riboses Better Than One? The Case of the Recognition and Activation of Adenosine Receptors
© 2023 The Authors. ChemMedChem published by Wiley-VCH GmbH..
Traditionally, molecular recognition between the orthosteric site of adenosine receptors and their endogenous ligand occurs with a 1 : 1 stoichiometry. Inspired by previous mechanistic insights derived from supervised molecular dynamics (SuMD) simulations, which suggested an alternative 2 : 1 binding stoichiometry, we synthesized BRA1, a bis-ribosyl adenosine derivative, tested its ability to bind to and activate members of the adenosine receptor family, and rationalized its activity through molecular modeling.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2023 |
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| Erschienen: |
2023 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:18 |
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| Enthalten in: |
ChemMedChem - 18(2023), 14 vom: 17. Juli, Seite e202300109 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Gianferrara, Teresa [VerfasserIn] |
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| Links: |
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| Themen: |
Adenosine |
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| Anmerkungen: |
Date Completed 21.07.2023 Date Revised 25.07.2023 published: Print-Electronic Citation Status MEDLINE |
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| doi: |
10.1002/cmdc.202300109 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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NLM356179168 |
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| 520 | |a Traditionally, molecular recognition between the orthosteric site of adenosine receptors and their endogenous ligand occurs with a 1 : 1 stoichiometry. Inspired by previous mechanistic insights derived from supervised molecular dynamics (SuMD) simulations, which suggested an alternative 2 : 1 binding stoichiometry, we synthesized BRA1, a bis-ribosyl adenosine derivative, tested its ability to bind to and activate members of the adenosine receptor family, and rationalized its activity through molecular modeling | ||
| 650 | 4 | |a Journal Article | |
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| 650 | 4 | |a bitopic ligands | |
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| 700 | 1 | |a Bassani, Davide |e verfasserin |4 aut | |
| 700 | 1 | |a Vincenzi, Fabrizio |e verfasserin |4 aut | |
| 700 | 1 | |a Pasquini, Silvia |e verfasserin |4 aut | |
| 700 | 1 | |a Bolcato, Giovanni |e verfasserin |4 aut | |
| 700 | 1 | |a Varani, Katia |e verfasserin |4 aut | |
| 700 | 1 | |a Spalluto, Giampiero |e verfasserin |4 aut | |
| 700 | 1 | |a Federico, Stephanie |e verfasserin |4 aut | |
| 700 | 1 | |a Moro, Stefano |e verfasserin |4 aut | |
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