| Naslov: | Synthesis, antimycobacterial activity, and computational insight of novel 1,4-benzoxazin-2-one derivatives as promising candidates against multidrug-resistant mycobacterium tuberculosis |
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| Avtorji: | ID Mamolo, Maria Grazia (Avtor)
ID Carosati, Emanuele (Avtor)
ID Pasin, Diletta (Avtor)
ID De Logu, Alessandro (Avtor)
ID Cabiddu, Gianluigi (Avtor)
ID Jukič, Marko (Avtor)
ID Zampieri, Daniele (Avtor) |
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| Datoteke: |  ChemMedChem_-_2025_-_Mamolo_-_Synthesis__Antimycobacterial_Activity__and_Computational_Insight_of_Novel_1.pdf (1,77 MB)
MD5: 692D0921DC84033223AB466968980221
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| Jezik: | Angleški jezik |
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| Vrsta gradiva: | Članek v reviji |
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| Tipologija: | 1.01 - Izvirni znanstveni članek |
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| Organizacija: | FKKT - Fakulteta za kemijo in kemijsko tehnologijo
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| Opis: | In the search for new antitubercular agents, a series of 1,4-benzoxazinone-based compounds is designed, synthesized, and evaluated. These molecules show potent antimycobacterial activity, with a minimum inhibitory concentration between 2 and 8 μg mL−1. This interesting profile includes activity against several drug-resistant strains and minimal cytotoxicity against mammalian Vero cells. Structural similarities with analogs from the literature are reinforced by molecular docking and molecular dynamics simulations, suggesting that inhibition of the menaquinone-B enzyme as a potential mechanism of action. In addition, the active compounds exhibit favorable predicted Absorption, Distribuition, Metabolism, and Excretion (ADME) properties, indicating their potential for oral administration in humans. |
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| Ključne besede: | antimycobacterial, benzoxazinones, cytotoxicities, dockings, menaquinone-B, minimum inhibitory concentrations |
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| Status publikacije: | Objavljeno |
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| Verzija publikacije: | Objavljena publikacija |
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| Poslano v recenzijo: | 28.01.2025 |
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| Datum sprejetja članka: | 12.05.2025 |
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| Datum objave: | 14.05.2025 |
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| Založnik: | Wiley |
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| Leto izida: | 2025 |
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| Št. strani: | 11 str. |
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| PID: | 20.500.12556/DKUM-93640  |
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| UDK: | 579.6 |
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| COBISS.SI-ID: | 241809155 |
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| DOI: | 10.1002/cmdc.202500073 |
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| ISSN pri članku: | 1860-7187 |
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| Avtorske pravice: | © 2025 The Authors |
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| Datum objave v DKUM: | 09.07.2025 |
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| Število ogledov: | 110 |
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| Število prenosov: | 9 |
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| Metapodatki: |    |
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| Področja: | Ostalo
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