Self-assembly, virtual screening of a new cobalt complex: Synthesis, empirical, DFT calculations, biological activity investigations and identification of inhibitory activity on the main protease of COVID-19 and SARS-CoV2 by molecular docking strategy of (C6H6NF)2[Co(SCN)2]

Makhlouf, Jawher; El Bakri, Youness; Valkonen, Arto; Saravanan, Kandasamy; Ahmad, Sajjad; Al-Salahi, Rashad; Smirani, Wajda

doi:10.1016/j.inoche.2023.111723

Inorganic Chemistry Communications

2024

DOI: 10.1016/j.inoche.2023.111723

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Self-assembly, virtual screening of a new cobalt complex: Synthesis, empirical, DFT calculations, biological activity investigations and identification of inhibitory activity on the main protease of COVID-19 and SARS-CoV2 by molecular docking strategy of (C6H6NF)2[Co(SCN)2]

Jawher Makhlouf,

Youness El Bakri,

Arto Valkonen

et al.

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Cited by 3 publications

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Self-assembly, virtual screening of a new cobalt complex: Synthesis, empirical, DFT calculations, biological activity investigations and identification of inhibitory activity on the main protease of COVID-19 and SARS-CoV2 by molecular docking strategy of (C6H6NF)2[Co(SCN)2]

Cited by 3 publications

References 43 publications

Elaboration of a new 4-(4-nitrophenyl)piperazin-1-ium tetrakis(thiocyanato)-cobalt hydrate: Crystal structure, optical properties, quantum computational investigation, electrical and biological study

Elaboration of a new 4-(4-nitrophenyl)piperazin-1-ium tetrakis(thiocyanato)-cobalt hydrate: Crystal structure, optical properties, quantum computational investigation, electrical and biological study

Synthesis, crystal structure, thermal analysis, spectroscopic, optical polarizability, and DFT studies, and molecular docking approaches of novel 2-methyl-benzylammonium derivatives for potential anti-inflammatory control

Design, structure and antivirus molecular docking of chloridobis(1,10-phenanthroline)-(thiocyanato)-copper(II)

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