Molecular Simplification of Natural Products: Synthesis, Antibacterial Activity, and Molecular Docking Studies of Berberine Open Models
| Autor: | Gualtiero Milani, Maria Maddalena Cavalluzzi, Roberta Solidoro, Lara Salvagno, Laura Quintieri, Angela Di Somma, Antonio Rosato, Filomena Corbo, Carlo Franchini, Angela Duilio, Leonardo Caputo, Solomon Habtemariam, Giovanni Lentini |
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| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: | |
| Zdroj: | Biomedicines, Vol 9, Iss 5, p 452 (2021) |
| Druh dokumentu: | article |
| ISSN: | 2227-9059 75586401 |
| DOI: | 10.3390/biomedicines9050452 |
| Popis: | Berberine, the main bioactive component of many medicinal plants belonging to various genera such as Berberis, Coptis, and Hydrastis is a multifunctional compound. Among the numerous interesting biological properties of berberine is broad antimicrobial activity including a range of Gram-positive and Gram-negative bacteria. With the aim of identifying berberine analogues possibly endowed with higher lead-likeness and easier synthetic access, the molecular simplification approach was applied to the secondary metabolite and a series of analogues were prepared and screened for their antimicrobial activity against Gram-positive and Gram-negative bacterial test species. Rewardingly, the berberine simplified analogues displayed 2–20-fold higher potency with respect to berberine. Since our berberine simplified analogues may be easily synthesized and are characterized by lower molecular weight than the parent compound, they are further functionalizable and should be more suitable for oral administration. Molecular docking simulations suggested FtsZ, a well-known protein involved in bacterial cell division, as a possible target. |
| Databáze: | Directory of Open Access Journals |
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