| Autor: |
Yosri N; School of Food and Biological Engineering, Jiangsu University, Zhenjiang 212013, China.; Department of Chemistry, Faculty of Science, Menoufia University, Shebin El-Kom 32512, Egypt., Abd El-Wahed AA; Department of Bee Research, Plant Protection Research Institute, Agricultural Research Centre, Giza 12627, Egypt., Ghonaim R; Department of Chemistry, Faculty of Science, Menoufia University, Shebin El-Kom 32512, Egypt., Khattab OM; Department of Chemistry, Faculty of Science, Menoufia University, Shebin El-Kom 32512, Egypt., Sabry A; Department of Chemistry, Faculty of Science, Menoufia University, Shebin El-Kom 32512, Egypt., Ibrahim MAA; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia 61519, Egypt., Moustafa MF; Department of Biology, College of Science, King Khalid University, Abha 9004, Saudi Arabia.; Department of Botany & Microbiology, Faculty of Science, South Valley University, Qena 83523, Egypt., Guo Z; School of Food and Biological Engineering, Jiangsu University, Zhenjiang 212013, China., Zou X; School of Food and Biological Engineering, Jiangsu University, Zhenjiang 212013, China., Algethami AFM; Alnahalaljwal Foundation Saudi Arabia, P.O. Box 617, Al Jumum 21926, Saudi Arabia., Masry SHD; Department of Plant Protection and Biomolecular Diagnosis, Arid Lands Cultivation Research Institute (ALCRI), City of Scientific Research and Technological Applications, New Borg El-Arab City, Alexandria 21934, Egypt.; Abu Dhabi Agriculture and Food Safety Authority (ADAFSA), Al Ain 52150, United Arab Emirates., AlAjmi MF; Pharmacognosy Group, College of Pharmacy, King Saud University, Riyadh 11451, Saudi Arabia., Afifi HS; Food Research Section, R&D Division, Abu Dhabi Agriculture and Food Safety Authority (ADAFSA), Abu Dhabi P.O. Box 52150, United Arab Emirates., Khalifa SAM; Department of Molecular Biosciences, Stockholm University, The Wenner-Gren Institute, SE-106 91 Stockholm, Sweden., El-Seedi HR; Department of Chemistry, Faculty of Science, Menoufia University, Shebin El-Kom 32512, Egypt.; International Research Center for Food Nutrition and Safety, Jiangsu University, Zhenjiang 212013, China.; Division of Pharmacognosy, Department of Pharmaceutical Biosciences, Uppsala University, Biomedical Centre, P.O. Box 591, SE 751 24 Uppsala, Sweden. |
| Abstrakt: |
Propolis, a resin produced by honeybees, has long been used as a dietary supplement and folk remedy, and more recent preclinical investigations have demonstrated a large spectrum of potential therapeutic bioactivities, including antioxidant, antibacterial, anti-inflammatory, neuroprotective, immunomodulatory, anticancer, and antiviral properties. As an antiviral agent, propolis and various constituents have shown promising preclinical efficacy against adenoviruses, influenza viruses, respiratory tract viruses, herpes simplex virus type 1 (HSV-1) and type 2 (HSV-2), human immunodeficiency virus (HIV), and severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Over 300 chemical components have been identified in propolis, including terpenes, flavonoids, and phenolic acids, with the specific constituent profile varying widely according to geographic origin and regional flora. Propolis and its constituents have demonstrated potential efficacy against SARS-CoV-2 by modulating multiple pathogenic and antiviral pathways. Molecular docking studies have demonstrated high binding affinities of propolis derivatives to multiple SARS-CoV-2 proteins, including 3C-like protease (3CL pro ), papain-like protease (PL pro ), RNA-dependent RNA polymerase (RdRp), the receptor-binding domain (RBD) of the spike protein (S-protein), and helicase (NSP13), as well as to the viral target angiotensin-converting enzyme 2 (ACE2). Among these compounds, retusapurpurin A has shown high affinity to 3CL pro (ΔG = -9.4 kcal/mol), RdRp (-7.5), RBD (-7.2), NSP13 (-9.4), and ACE2 (-10.4) and potent inhibition of viral entry by forming hydrogen bonds with amino acid residues within viral and human target proteins. In addition, propolis-derived baccharin demonstrated even higher binding affinity towards PL pro (-8.2 kcal/mol). Measures of drug-likeness parameters, including metabolism, distribution, absorption, excretion, and toxicity (ADMET) characteristics, also support the potential of propolis as an effective agent to combat COVID-19. |
