TY - JOUR
T1 - Simple Theoretical Criterion for Selection of Natural Compounds with Anti-COVID-19 Activity
AU - Veljkovic, Veljko
AU - Glisic, Sanja
AU - Perovic, Vladimir
AU - Veljkovic, Milena
AU - Paessler, Slobodan
N1 - Funding Information:
This work was supported partially by John S. Dunn Endowment to SP and through Cooperative Agreement Number U01AI151801 between the National Institute of Allergy and Infectious Diseases (NIAD) and University of Texas Medical Branch/West African Center for Emerging Infectious Diseases.
Funding Information:
This research was supported by the Ministry of Education, Science and Technological Development of the Republic of Serbia and Biomed Protection Galveston Texas USA.
Publisher Copyright:
Copyright: © 2022 The Author(s).
PY - 2022
Y1 - 2022
N2 - Background: A novel human coronavirus, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), has become the leading threat to global health. An effective antiviral could not only help those still vulnerable to the virus but could be a critical treatment if a virus emerges toward evading coronavirus disease 2019 (COVID-19) vaccines. Despite the significant efforts to test already-approved drugs for their potential to kill the virus, researchers found very few actually worked. Methods: The present report uses the electronic molecular descriptors, the quasi-valence number (AQVN), and the electron-ion interaction potential (EIIP), for the analysis of natural compounds with proven therapeutic activity against the COVID-19. Results: Based on the analysis of the electronic properties of natural compounds which are effective against SARS-CoV-2 virus the simple theoretical criterion for the selection of candidate compounds for the treatment of COVID-19 is proposed. Conclusions: The proposed theoretical criterion can be used for the identification and optimization of new lead compounds for the treatment of the COVID-19 disease and for the selection of the food and food supplements which could have a beneficial effect on COVID-19 patients.
AB - Background: A novel human coronavirus, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), has become the leading threat to global health. An effective antiviral could not only help those still vulnerable to the virus but could be a critical treatment if a virus emerges toward evading coronavirus disease 2019 (COVID-19) vaccines. Despite the significant efforts to test already-approved drugs for their potential to kill the virus, researchers found very few actually worked. Methods: The present report uses the electronic molecular descriptors, the quasi-valence number (AQVN), and the electron-ion interaction potential (EIIP), for the analysis of natural compounds with proven therapeutic activity against the COVID-19. Results: Based on the analysis of the electronic properties of natural compounds which are effective against SARS-CoV-2 virus the simple theoretical criterion for the selection of candidate compounds for the treatment of COVID-19 is proposed. Conclusions: The proposed theoretical criterion can be used for the identification and optimization of new lead compounds for the treatment of the COVID-19 disease and for the selection of the food and food supplements which could have a beneficial effect on COVID-19 patients.
KW - natural compounds; secondary metabolites; flavonoids; coronavirus; COVID-19; electron-ion interaction potential; average quasi-valence number
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U2 - 10.31083/j.fbl2705152
DO - 10.31083/j.fbl2705152
M3 - Article
C2 - 35638419
AN - SCOPUS:85131205291
SN - 1093-9946
VL - 27
JO - Frontiers in Bioscience - Landmark
JF - Frontiers in Bioscience - Landmark
IS - 5
M1 - 152
ER -