In Silico Screening of Potent Bioactive Compounds from Honey Bee Products Against COVID-19 Target Enzymes
| Autor: | Moataz A. Shaldam, Nashwa H Mohamed, Mohamed M. Abdel-Daim, Galal Yahya, Yahya Al Naggar |
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| Rok vydání: | 2020 |
| Předmět: |
Health
Toxicology and Mutagenesis In silico medicine.medical_treatment Drug repurposing Biology 010501 environmental sciences medicine.disease_cause Antiviral Agents 01 natural sciences Terpene chemistry.chemical_compound Environmental Factors and the Epidemics of COVID-19 medicine Animals Humans Environmental Chemistry 0105 earth and related environmental sciences Coronavirus chemistry.chemical_classification Natural products Protease SARS-CoV-2 COVID-19 Honey bee General Medicine Bees Propolis Antimicrobial Pollution Honeybee products Phenolic compounds COVID-19 Drug Treatment Molecular Docking Simulation Enzyme chemistry Biochemistry Molecular docking Coronavirus Infections Kaempferol Ellagic acid |
| Zdroj: | Environmental Science and Pollution Research International |
| DOI: | 10.26434/chemrxiv.12644102 |
| Popis: | From the early days of the COVID-19 pandemic, side by side to immense investigates to design specific drugs or to develop a potential vaccine for the novel coronavirus. Myriads of FDA approved drugs are massively repurposed for COVID-19 treatment based on molecular docking of selected protein targets that play vital for the replication cycle of the virus. Honey bee products are well known of their nutritional values and medicinal effects. Antimicrobial activity of bee products and natural honey have been documented in several clinical studies and was considered a good alternative for antiviral medications to treat some viral infections. Bee products contain bioactive compounds in the form of a collection of phenolic acids, flavonoids and terpenes of natural origin. 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 2019-nCoV coronavirus. Of these compounds, p-coumaric acid, ellagic acid, kaemferol and quercetin has the strongest interaction with the 2019-nCoV target enzymes, and they may be considered as an effective 2019-nCoV inhibitors. |
| Databáze: | OpenAIRE |
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