Biginelli Reaction Synthesis of Novel Multitarget-Directed Ligands with Ca2+ Channel Blocking Ability, Cholinesterase Inhibition, Antioxidant Capacity, and Nrf2 Activation
Novel multitarget-directed ligands BIGI 4a-d and BIGI 5a-d were designed and synthesized with a simple and cost-efficient procedure via a one-pot three-component Biginelli reaction targeting acetyl-/butyrylcholinesterases inhibition, calcium channel antagonism, and antioxidant ability. Among these multitarget-directed ligands, BIGI 4b, BIGI 4d, and BIGI 5b were identified as promising new hit compounds showing in vitro balanced activities toward the recognized AD targets. In addition, these compounds showed suitable physicochemical properties and a good druglikeness score predicted by Data Warrior software.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2022 |
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| Erschienen: |
2022 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:28 |
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| Enthalten in: |
Molecules (Basel, Switzerland) - 28(2022), 1 vom: 22. Dez. |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Malek, Rim [VerfasserIn] |
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| Links: |
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| Themen: |
Antioxidants |
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| Anmerkungen: |
Date Completed 07.02.2023 Date Revised 08.03.2023 published: Electronic Citation Status MEDLINE |
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| doi: |
10.3390/molecules28010071 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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| PPN (Katalog-ID): |
NLM351263594 |
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| 500 | |a Date Revised 08.03.2023 | ||
| 500 | |a published: Electronic | ||
| 500 | |a Citation Status MEDLINE | ||
| 520 | |a Novel multitarget-directed ligands BIGI 4a-d and BIGI 5a-d were designed and synthesized with a simple and cost-efficient procedure via a one-pot three-component Biginelli reaction targeting acetyl-/butyrylcholinesterases inhibition, calcium channel antagonism, and antioxidant ability. Among these multitarget-directed ligands, BIGI 4b, BIGI 4d, and BIGI 5b were identified as promising new hit compounds showing in vitro balanced activities toward the recognized AD targets. In addition, these compounds showed suitable physicochemical properties and a good druglikeness score predicted by Data Warrior software | ||
| 650 | 4 | |a Journal Article | |
| 650 | 4 | |a Biginelli reaction | |
| 650 | 4 | |a Nrf2 | |
| 650 | 4 | |a calcium channel antagonism | |
| 650 | 4 | |a multitarget-directed ligands | |
| 650 | 7 | |a Antioxidants |2 NLM | |
| 650 | 7 | |a Cholinesterase Inhibitors |2 NLM | |
| 650 | 7 | |a Ligands |2 NLM | |
| 650 | 7 | |a NF-E2-Related Factor 2 |2 NLM | |
| 650 | 7 | |a Calcium Channel Blockers |2 NLM | |
| 700 | 1 | |a Simakov, Alexey |e verfasserin |4 aut | |
| 700 | 1 | |a Davis, Audrey |e verfasserin |4 aut | |
| 700 | 1 | |a Maj, Maciej |e verfasserin |4 aut | |
| 700 | 1 | |a Bernard, Paul J |e verfasserin |4 aut | |
| 700 | 1 | |a Wnorowski, Artur |e verfasserin |4 aut | |
| 700 | 1 | |a Martin, Helene |e verfasserin |4 aut | |
| 700 | 1 | |a Marco-Contelles, José |e verfasserin |4 aut | |
| 700 | 1 | |a Chabchoub, Fakher |e verfasserin |4 aut | |
| 700 | 1 | |a Dallemagne, Patrick |e verfasserin |4 aut | |
| 700 | 1 | |a Rochais, Christophe |e verfasserin |4 aut | |
| 700 | 1 | |a Jozwiak, Krzysztof |e verfasserin |4 aut | |
| 700 | 1 | |a Ismaili, Lhassane |e verfasserin |4 aut | |
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