Possible therapeutic targets and promising drugs based on unsymmetrical hetaryl-substituted porphyrins to combat SARS-CoV-2

Gubarev, Yury A.; Лебедева, Н.С.; Yurina, Elena S.; Сырбу, С. А.; Киселев, А. Н.; Lebedev, M. A.

doi:10.1016/j.jpha.2021.08.003

Cited by 10 publications

(6 citation statements)

References 41 publications

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“…Previous studies have reported different modes of actions of porphyrin derivatives and carbon dots as antiviral agents, such as inhibition of viral particle binding to its receptors, preventing the viral attachment and entry, inhibiting viral proteases, and also disruption of viral replication [43][44][45][46][47][48]. However, our DBSS results confirmed that the tested compounds could specifically target the SARS-CoV-2 nucleocapsid by inhibiting its homodimer formation (Fig.…”

Section: Discussionsupporting

confidence: 47%

Porphyrin-derived carbon dots for an enhanced antiviral activity targeting the CTD of SARS-CoV-2 nucleocapsid

Fibriani,

Taharuddin,

Yamahoki

et al. 2023

Journal of Genetic Engineering and Biotechnology

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Background Since effective antiviral drugs for COVID-19 are still limited in number, the exploration of compounds that have antiviral activity against SARS-CoV-2 is in high demand. Porphyrin is potentially developed as a COVID-19 antiviral drug. However, its low solubility in water restricts its clinical application. Reconstruction of porphyrin into carbon dots is expected to possess better solubility and bioavailability as well as lower biotoxicity. Methods and results In this study, we investigated the antiviral activity of porphyrin and porphyrin-derived carbon dots against SARS-CoV-2. Through the in silico analysis and assessment using a novel drug screening platform, namely dimer-based screening system, we demonstrated the capability of the antivirus candidates in inhibiting the dimerization of the C-terminal domain of SARS-CoV-2 Nucleocapsid. It was shown that porphyrin-derived carbon dots possessed lower cytotoxicity on Vero E6 cells than porphyrin. Furthermore, we also assessed their antiviral activity on the SARS-CoV-2-infected Vero E6 cells. The transformation of porphyrin into carbon dots substantially augmented its performance in disrupting SARS-CoV-2 propagation in vitro. Conclusions Therefore, this study comprehensively demonstrated the potential of porphyrin-derived carbon dots to be developed further as a promisingly safe and effective COVID-19 antiviral drug.

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Section: Discussionsupporting

confidence: 47%

Porphyrin-derived carbon dots for an enhanced antiviral activity targeting the CTD of SARS-CoV-2 nucleocapsid

Fibriani,

Taharuddin,

Yamahoki

et al. 2023

Journal of Genetic Engineering and Biotechnology

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“…Srikanth et al and Agrawal et al virtually explored the potential of andrographolide as well as other antivirals, antibiotics, antiparasitics, flavonoids, and vitamins in inhibiting S protein and RdRp. Another molecular docking of compounds such as coumarins, porphyrins, propolis, or existing drugs can be found in refs − .…”

Section: Methods and Approachesmentioning

confidence: 99%

Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2

Gao¹,

Wang²,

Chen³

et al. 2022

Chem. Rev.

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Despite tremendous efforts in the past two years, our understanding of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune response, virulence, transmission, and evolution is still very limited. This limitation calls for further in-depth investigation. Computational studies have become an indispensable component in combating coronavirus disease 2019 (COVID-19) due to their low cost, their efficiency, and the fact that they are free from safety and ethical constraints. Additionally, the mechanism that governs the global evolution and transmission of SARS-CoV-2 cannot be revealed from individual experiments and was discovered by integrating genotyping of massive viral sequences, biophysical modeling of protein–protein interactions, deep mutational data, deep learning, and advanced mathematics. There exists a tsunami of literature on the molecular modeling, simulations, and predictions of SARS-CoV-2 and related developments of drugs, vaccines, antibodies, and diagnostics. To provide readers with a quick update about this literature, we present a comprehensive and systematic methodology-centered review. Aspects such as molecular biophysics, bioinformatics, cheminformatics, machine learning, and mathematics are discussed. This review will be beneficial to researchers who are looking for ways to contribute to SARS-CoV-2 studies and those who are interested in the status of the field.

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“…The studied porphyrins -5-[4'-(1'',3''-benzothiazol-2''-yl) phenyl]-10,15,20-tri(N-methyl-3'-pyridyl)porphyrin triiodide (triMPyP3S), 5-[4'-(1'',3''-benzoxazol-2''-yl)phenyl]-10,15,20tri(N-methyl-3'-pyridyl)porphyrin triiodide (triMPyP3O) and 5-[4'-(N-methyl-1'',3''-benzoimidazol-2''-yl)phenyl]-10,15,20tri(N-methyl-3'-pyridyl)porphyrin triiodide (triMPyP3N) were synthesized in the same way. [11] Tetra(4-pyridyl)porphyrin (TPyP4). A mixture of 10 mL (0.144 mol) of pyrrole and 13.7 mL (0.144 mol) of 4-pyridylcarboxaldehyde was gradually added under reflux to a mixture of 500 mL of acetic acid, 150 mL of nitrobenzene and 27 mL (0.286 mol) of acetic anhydride.…”

Section: Methodsmentioning

confidence: 99%

Spectral Сharacterization of Сomplexes of Tetra- and Tricationic Porphyrins with DNA Duplex

Лебедева¹,

Yurina²,

Lebedev³

et al. 2021

MHC

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A systematic spectral study of the interaction of DNA with a number of tetra-and tricationic porphyrins, in which the N-methyl group is located in the para-or meta-position of the pyridyl substituent, has been carried out. The conditions for the formation of intercalation complexes of DNA with the studied porphyrins were established. It was shown that DNA exhibits greater affinity for porphyrins with an N-methyl group in the para-position of the peripheral substituent, compared to porphyrins with an N-methyl group in the meta-position. Intercalation complexes of DNA with porphyrins with the meta-position of the N-methyl group are characterized by spectral features, such as a slight bathochromic shift of the Soret band in the UV-Visible spectrum and the absence of band inversion in the fluorescence spectrum of intercalated porphyrins. For DNA complexes with monohetaryl-substituted porphyrins, a "semi-intercalation" binding model has been proposed.

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Possible therapeutic targets and promising drugs based on unsymmetrical hetaryl-substituted porphyrins to combat SARS-CoV-2

Cited by 10 publications

References 41 publications

Porphyrin-derived carbon dots for an enhanced antiviral activity targeting the CTD of SARS-CoV-2 nucleocapsid

Porphyrin-derived carbon dots for an enhanced antiviral activity targeting the CTD of SARS-CoV-2 nucleocapsid

Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2

Spectral Сharacterization of Сomplexes of Tetra- and Tricationic Porphyrins with DNA Duplex

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