Cannabinoid Type 1 Receptor (CB1) Ligands with Therapeutic Potential for Withdrawal Syndrome in Chemical Dependents of Cannabis sativa
Cannabis sativa withdrawal syndrome is characterized mainly by psychological symptoms. By using computational tools, the aim of this study was to propose drug candidates for treating withdrawal syndrome based on the natural ligands of the cannabinoid type 1 receptor (CB1). One compound in particular, 2‐ n ‐butyl‐5‐ n ‐pentylbenzene‐1,3‐diol (ZINC1730183, also known as stemphol), showed positive predictions as a human CB1 ligand and for facile synthetic accessibility. Therefore, ZINC1730183 is a favorable candidate scaffold for further research into pharmacotherapeutic alternatives to treat C. sativa withdrawal syndrome. Off the hook : Most drugs used to treat chemical dependence treat the symptoms but not the underlying biological target. This study was designed to identify potential CB1 agonists to treat C. sativa withdrawal syndrome. Pharmacophore‐based ligand screening and classification by structural similarity revealed a group of seven compounds for which predictions of pharmacokinetics, toxicology, biological activity, and synthetic accessibility were carried out. One compound stood out as particularly well suited for further development, with the ultimate goal of decreasing the damage caused by drug dependency..
| Medienart: |
Artikel |
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| Erscheinungsjahr: |
2017 |
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| Erschienen: |
2017 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:12 |
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| Enthalten in: |
ChemMedChem - 12(2017), 16, Seite 1408-1416 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Ferreira, Jaderson V [VerfasserIn] |
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| Links: |
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| BKL: | |
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| Themen: |
Cannabis sativa |
| RVK: |
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| doi: |
10.1002/cmdc.201700129 |
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| 520 | |a Cannabis sativa withdrawal syndrome is characterized mainly by psychological symptoms. By using computational tools, the aim of this study was to propose drug candidates for treating withdrawal syndrome based on the natural ligands of the cannabinoid type 1 receptor (CB1). One compound in particular, 2‐ n ‐butyl‐5‐ n ‐pentylbenzene‐1,3‐diol (ZINC1730183, also known as stemphol), showed positive predictions as a human CB1 ligand and for facile synthetic accessibility. Therefore, ZINC1730183 is a favorable candidate scaffold for further research into pharmacotherapeutic alternatives to treat C. sativa withdrawal syndrome. Off the hook : Most drugs used to treat chemical dependence treat the symptoms but not the underlying biological target. This study was designed to identify potential CB1 agonists to treat C. sativa withdrawal syndrome. Pharmacophore‐based ligand screening and classification by structural similarity revealed a group of seven compounds for which predictions of pharmacokinetics, toxicology, biological activity, and synthetic accessibility were carried out. One compound stood out as particularly well suited for further development, with the ultimate goal of decreasing the damage caused by drug dependency. | ||
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| 700 | 1 | |a Santos, Cleydson B. R |4 oth | |
| 700 | 1 | |a Hage‐Melim, Lorane I. S |4 oth | |
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