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In silico screening of potent bioactive compounds from honeybee products against COVID-19 target enzymes.
Shaldam, Moataz A; Yahya, Galal; Mohamed, Nashwa H; Abdel-Daim, Mohamed M; Al Naggar, Yahya.
  • Shaldam MA; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Kafr EL Sheikh University, Kafr El Sheikh, 33516, Egypt.
  • Yahya G; Microbiology and Immunology Department, Faculty of Pharmacy, Zagazig University, Al Sharqia, 44519, Egypt.
  • Mohamed NH; Department of Molecular Genetics, Faculty of Biology, Technical University of Kaiserslautern, Paul-Ehrlich Str. 24, 67663, Kaiserslautern, Germany.
  • Abdel-Daim MM; Hospitals of Zagazig University, Al Sharqia, Egypt.
  • Al Naggar Y; Department of Zoology, College of Science, King Saud University, P.O. Box 2455, Riyadh, 11451, Saudi Arabia.
Environ Sci Pollut Res Int ; 28(30): 40507-40514, 2021 Aug.
Article in English | MEDLINE | ID: covidwho-2113733
ABSTRACT
After the early advent of the Coronavirus Disease 2019 (COVID-19) pandemic, myriads of FDA-approved drugs have been massively repurposed for COVID-19 treatment based on molecular docking against selected protein targets that play fundamental roles in the replication cycle of the novel coronavirus. Honeybee products are well known of their nutritional values and medicinal effects. Bee products contain bioactive compounds in the form of a collection of phenolic acids, flavonoids, and terpenes of natural origin that display wide spectrum antiviral effects. We revealed by molecular docking the profound binding affinity of 14 selected phenolics and terpenes present in honey and propolis (bees glue) against the main protease (Mpro) and RNA-dependent RNA polymerase (RdRp) enzymes of the novel SARS-CoV-2 virus (the causative agent of COVID-19) using AutoDock Vina software. Of these compounds, p-coumaric acid, ellagic acid, kaempferol, and quercetin have the strongest interaction with the SARS-CoV-2 target enzymes, and it may be considered an effective COVID-19 inhibitor.
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Full text: Available Collection: International databases Database: MEDLINE Main subject: Coronavirus Infections / COVID-19 Drug Treatment Limits: Animals / Humans Language: English Journal: Environ Sci Pollut Res Int Journal subject: Environmental Health / Toxicology Year: 2021 Document Type: Article Affiliation country: S11356-021-14195-9

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Full text: Available Collection: International databases Database: MEDLINE Main subject: Coronavirus Infections / COVID-19 Drug Treatment Limits: Animals / Humans Language: English Journal: Environ Sci Pollut Res Int Journal subject: Environmental Health / Toxicology Year: 2021 Document Type: Article Affiliation country: S11356-021-14195-9