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Simple Theoretical Criterion for Selection of Natural Compounds with Anti-COVID-19 Activity.
Veljkovic, Veljko; Glisic, Sanja; Perovic, Vladimir; Veljkovic, Milena; Paessler, Slobodan.
  • Veljkovic V; Biomed Protection, Galveston, TX 77550, USA.
  • Glisic S; Laboratory for Bioinformatics and Computational Chemistry, Institute of Nuclear Sciences Vinca, National Institute of the Republic of Serbia, University of Belgrade, 11001 Belgrade, Serbia.
  • Perovic V; Laboratory for Bioinformatics and Computational Chemistry, Institute of Nuclear Sciences Vinca, National Institute of the Republic of Serbia, University of Belgrade, 11001 Belgrade, Serbia.
  • Veljkovic M; Biomed Protection, Galveston, TX 77550, USA.
  • Paessler S; Department of Pathology, Galveston National Laboratory, University of Texas Medical Branch, 301 University Boulevard, Galveston, TX 77550, USA.
Front Biosci (Landmark Ed) ; 27(5): 152, 2022 05 11.
Article in English | MEDLINE | ID: covidwho-1876485
ABSTRACT

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.
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Full text: Available Collection: International databases Database: MEDLINE Main subject: COVID-19 Drug Treatment Topics: Vaccines Limits: Humans Language: English Journal: Front Biosci (Landmark Ed) Year: 2022 Document Type: Article Affiliation country: J.fbl2705152

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Full text: Available Collection: International databases Database: MEDLINE Main subject: COVID-19 Drug Treatment Topics: Vaccines Limits: Humans Language: English Journal: Front Biosci (Landmark Ed) Year: 2022 Document Type: Article Affiliation country: J.fbl2705152