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Keywords = octacationic complex

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13 pages, 3223 KB  
Article
What Binds Cationic Photosensitizers Better: Brownian Dynamics Reveals Key Interaction Sites on Spike Proteins of SARS-CoV, MERS-CoV, and SARS-CoV-2
by Vladimir Fedorov, Ekaterina Kholina, Sergei Khruschev, Ilya Kovalenko, Andrew Rubin and Marina Strakhovskaya
Viruses 2021, 13(8), 1615; https://doi.org/10.3390/v13081615 - 15 Aug 2021
Cited by 11 | Viewed by 3992
Abstract
We compared the electrostatic properties of the spike proteins (S-proteins) of three coronaviruses, SARS-CoV, MERS-CoV, and SARS-CoV-2, and their interactions with photosensitizers (PSs), octacationic octakis(cholinyl)zinc phthalocyanine (Zn-PcChol8+) and monocationic methylene blue (MB). We found a major common PS binding site at [...] Read more.
We compared the electrostatic properties of the spike proteins (S-proteins) of three coronaviruses, SARS-CoV, MERS-CoV, and SARS-CoV-2, and their interactions with photosensitizers (PSs), octacationic octakis(cholinyl)zinc phthalocyanine (Zn-PcChol8+) and monocationic methylene blue (MB). We found a major common PS binding site at the connection of the S-protein stalk and head. The molecules of Zn-PcChol8+ and MB also form electrostatic encounter complexes with large area of negative electrostatic potential at the head of the S-protein of SARS-CoV-2, between fusion protein and heptad repeat 1 domain. The top of the SARS-CoV spike head demonstrates a notable area of electrostatic contacts with Zn-PcChol8+ and MB that corresponds to the N-terminal domain. The S-protein protomers of SARS-CoV-2 in “open” and “closed” conformations demonstrate different ability to attract PS molecules. In contrast with Zn-PcChol8+, MB possesses the ability to penetrate inside the pocket formed as a result of SARS-CoV-2 receptor binding domain transition into the “open” state. The existence of binding site for cationic PSs common to the S-proteins of SARS-CoV, SARS-CoV-2, and MERS-CoV creates prospects for the wide use of this type of PSs to combat the spread of coronaviruses. Full article
(This article belongs to the Special Issue State-of-the-Art Respiratory Viruses Research in Russia)
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8 pages, 1264 KB  
Article
Synthesis of Bis{meso-Tetrakis(4-N-alkylpyridiniumyl)porphyrinato}cerium and Its Redox Switching Behavior
by Toshio Nishino, Yasuyuki Yamada, Ayumi Yamamoto and Kentaro Tanaka
Molecules 2021, 26(4), 790; https://doi.org/10.3390/molecules26040790 - 3 Feb 2021
Cited by 1 | Viewed by 2911
Abstract
A novel double-decker porphyrin complex, bis{meso-tetrakis(4-N-alkylpyridiniumyl)porphyrinato}cerium, was prepared. Electrochemical measurements revealed that this complex exhibited reversible redox waves corresponding to a 1e redox reaction of the cerium center. Treating the complex alternately with an oxidant and a reductant [...] Read more.
A novel double-decker porphyrin complex, bis{meso-tetrakis(4-N-alkylpyridiniumyl)porphyrinato}cerium, was prepared. Electrochemical measurements revealed that this complex exhibited reversible redox waves corresponding to a 1e redox reaction of the cerium center. Treating the complex alternately with an oxidant and a reductant resulted in the reversible redox switching between the oxidized and reduced states in an organic solvent. Full article
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10 pages, 4766 KB  
Article
Self-Assembly of Discrete Porphyrin/Calix[4]tube Complexes Promoted by Potassium Ion Encapsulation
by Massimiliano Gaeta, Elisabetta Rodolico, Maria E. Fragalà, Andrea Pappalardo, Ilenia Pisagatti, Giuseppe Gattuso, Anna Notti, Melchiorre F. Parisi, Roberto Purrello and Alessandro D’Urso
Molecules 2021, 26(3), 704; https://doi.org/10.3390/molecules26030704 - 29 Jan 2021
Cited by 14 | Viewed by 2809
Abstract
The pivotal role played by potassium ions in the noncovalent synthesis of discrete porphyrin-calixarene nanostructures has been examined. The flattened-cone conformation adopted by the two cavities of octa-cationic calix[4]tube C4T was found to prevent the formation of complexes with well-defined stoichiometry between this [...] Read more.
The pivotal role played by potassium ions in the noncovalent synthesis of discrete porphyrin-calixarene nanostructures has been examined. The flattened-cone conformation adopted by the two cavities of octa-cationic calix[4]tube C4T was found to prevent the formation of complexes with well-defined stoichiometry between this novel water-soluble calixarene and the tetra-anionic phenylsulfonate porphyrin CuTPPS. Conversely, preorganization of C4T into a C4v-symmetrical scaffold, triggered by potassium ion encapsulation (C4T@K+), allowed us to carry out an efficient hierarchical self-assembly process leading to 2D and 3D nanostructures. The stepwise formation of discrete CuTPPS/C4T@K+ noncovalent assemblies, containing up to 33 molecular elements, was conveniently monitored by UV/vis spectroscopy by following the absorbance of the porphyrin Soret band. Full article
(This article belongs to the Special Issue Calixarene Complexes: Synthesis, Properties and Applications)
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