Hydrogen-bond-assisted topochemical synthesis of a multivalent zwitterionic tetramer via concomitant cross- and homo [2+2] photocycloadditions. Theoretical antiviral activity against SARS-CoV-2
Escalona A, Heinemann FW, Briceño A, Alvarado YJ, Paz JL, Lossada C, González-Paz L, Toro R, Henao JA (2023)
Publication Type: Journal article
Publication year: 2023
Journal
Book Volume: 47
Pages Range: 19925-19932
Journal Issue: 43
DOI: 10.1039/d3nj04041k
Abstract
Compound [(3-H2PA)(HCh)]·2H2O (1) represents a novel example of an ionic co-crystal that undergoes regioselectively a triple photoreaction to form a rare multivalent tetramolecular zwitterion (2) with a pentacyclic ladderane-like core in high yield. Molecular docking and molecular dynamics show that this molecule can bind well to the interface between the spike protein of SARS-CoV-2 and the cell surface receptor ACE2 with which it forms a complex to facilitate infection. At the same time, it could theoretically decrease viral replication.
Authors with CRIS profile
Involved external institutions
Industrial University of Santander / Universidad Industrial de Santander
Colombia (CO)
Venezuelan Institute for Scientific Research / Instituto Venezolano de Investigaciones Científicas (IVIC)
Venezuela, Bolivarian Republic of (VE)
National University of San Marcos / Universidad Nacional Mayor de San Marcos
Peru (PE)
Colombia (CO)
Venezuelan Institute for Scientific Research / Instituto Venezolano de Investigaciones Científicas (IVIC)
Venezuela, Bolivarian Republic of (VE)
National University of San Marcos / Universidad Nacional Mayor de San Marcos
Peru (PE)
How to cite
APA:
Escalona, A., Heinemann, F.W., Briceño, A., Alvarado, Y.J., Paz, J.L., Lossada, C.,... Henao, J.A. (2023). Hydrogen-bond-assisted topochemical synthesis of a multivalent zwitterionic tetramer via concomitant cross- and homo [2+2] photocycloadditions. Theoretical antiviral activity against SARS-CoV-2. New Journal of Chemistry, 47(43), 19925-19932. https://doi.org/10.1039/d3nj04041k
MLA:
Escalona, Ana, et al. "Hydrogen-bond-assisted topochemical synthesis of a multivalent zwitterionic tetramer via concomitant cross- and homo [2+2] photocycloadditions. Theoretical antiviral activity against SARS-CoV-2." New Journal of Chemistry 47.43 (2023): 19925-19932.
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