Styryl-extended Azopyrroles and their boron difluoride complexes: Synthesises, structures, spectra, and DFT calculation

Sun, Jialin; Sun, Ying; Yin, Zhenming

doi:10.1016/j.molstruc.2024.137889

Journal of Molecular Structure

2024

DOI: 10.1016/j.molstruc.2024.137889

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Styryl-extended Azopyrroles and their boron difluoride complexes: Synthesises, structures, spectra, and DFT calculation

Jialin Sun,

Ying Sun,

Zhenming Yin

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Synthesis, DFT investigation, ADME-T properties, molecular docking and molecular dynamics simulation of new α-aminophosphonate inhibitor targeting Mpro and RdRp enzymes in SARS-CoV-2

Kerkour,

Moumeni,

El houda Rabhi

et al. 2024

Journal of Molecular Structure

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Synthesis, DFT investigation, ADME-T properties, molecular docking and molecular dynamics simulation of new α-aminophosphonate inhibitor targeting Mpro and RdRp enzymes in SARS-CoV-2

Kerkour,

Moumeni,

El houda Rabhi

et al. 2024

Journal of Molecular Structure

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Styryl-extended Azopyrroles and their boron difluoride complexes: Synthesises, structures, spectra, and DFT calculation

Cited by 1 publication

References 49 publications

Synthesis, DFT investigation, ADME-T properties, molecular docking and molecular dynamics simulation of new α-aminophosphonate inhibitor targeting Mpro and RdRp enzymes in SARS-CoV-2

Synthesis, DFT investigation, ADME-T properties, molecular docking and molecular dynamics simulation of new α-aminophosphonate inhibitor targeting Mpro and RdRp enzymes in SARS-CoV-2

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