Theoretical investigation of solvent effects on reactivity, spectroscopic properties, and inhibitory potential of a dihydropyridine derivative against Vibrio cholorae: DFT, molecular docking and pharmacokinetics evaluation
Abstract The emergence of drug-resistant bacterial strains has made cholera an imminent threat to health. Addressing this challenge requires an exploration of new alternative medicines. In this work, density functional theory at B3LYP/6-311G (d, p) was employed to examine the effect of solvents on 4...
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| Hoofdauteurs: | , , , , |
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| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
Springer
2025-05-01
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| Reeks: | Discover Chemistry |
| Onderwerpen: | |
| Online toegang: | https://doi.org/10.1007/s44371-025-00189-w |
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