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Publications (5 of 5) Show all publications
Khalifa, S. A. M., Elashal, M. H., Yosri, N., Du, M., Musharraf, S. G., Nahar, L., . . . El-Seedi, H. R. (2021). Bee Pollen: Current Status and Therapeutic Potential. Nutrients, 13(6), Article ID 1876.
Open this publication in new window or tab >>Bee Pollen: Current Status and Therapeutic Potential
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2021 (English)In: Nutrients, E-ISSN 2072-6643, Vol. 13, no 6, article id 1876Article, review/survey (Refereed) Published
Abstract [en]

Bee pollen is a combination of plant pollen and honeybee secretions and nectar. The Bible and ancient Egyptian texts are documented proof of its use in public health. It is considered a gold mine of nutrition due to its active components that have significant health and medicinal properties. Bee pollen contains bioactive compounds including proteins, amino acids, lipids, carbohydrates, minerals, vitamins, and polyphenols. The vital components of bee pollen enhance different bodily functions and offer protection against many diseases. It is generally marketed as a functional food with affordable and inexpensive prices with promising future industrial potentials. This review highlights the dietary properties of bee pollen and its influence on human health, and its applications in the food industry.

Keywords
bee pollen, metabolic syndromes, human health, functional food, nutritional value
National Category
Biological Sciences Nutrition and Dietetics
Identifiers
urn:nbn:se:su:diva-196272 (URN)10.3390/nu13061876 (DOI)000665889800001 ()34072636 (PubMedID)
Available from: 2021-09-06 Created: 2021-09-06 Last updated: 2025-02-11Bibliographically approved
Reda, E. H., Shakour, Z. T. A., El-Halawany, A. M., El-Kashoury, E.-S. A., Shams, K. A., Mohamed, T. A., . . . Hegazy, M.-E. F. (2021). Comparative Study on the Essential Oils from Five Wild Egyptian Centaurea Species: Effective Extraction Techniques, Antimicrobial Activity and In-Silico Analyses. Antibiotics, 10(3), Article ID 252.
Open this publication in new window or tab >>Comparative Study on the Essential Oils from Five Wild Egyptian Centaurea Species: Effective Extraction Techniques, Antimicrobial Activity and In-Silico Analyses
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2021 (English)In: Antibiotics, E-ISSN 2079-6382, Vol. 10, no 3, article id 252Article in journal (Refereed) Published
Abstract [en]

The genus Centaurea is recognized in folk medicine for anti-inflammatory, anti-itch, antitussive, purgative, astringent, and tonic activities. To study the chemical determinant for antimicrobial activity essential oils (EOs), five Centaurea species were analyzed including: C. scoparia, C. calcitrapa, C. glomerata, C. lipii and C. alexandrina. Conventional hydro-distillation (HD) and microwave-assisted extraction (MAE), as new green technologies, were compared for the extraction of essential oils. GC/MS analysis identified 120 EOs including mostly terpenoid except from C. lipii and C. alexandrina in which nonterpenoids were the major constituents. Major terpenoids included spathulenol, caryophyllene oxide and alloaromadendrene oxide-2. To probe antibacterial activity, potential EO inhibitors of a bacterial type II DNA topoisomerase, DNA gyrase B were screened via an in silico molecular docking approach. Spathulenol and alloaromadendrene oxide-2 possessed the best binding affinity in the ATP- binding pocket of Gyrase B enzyme. Principal component analysis and agglomerative hierarchical clustering were used for sample classification and revealed that sesquiterpenes contributed the most for accessions classification. In vitro antimicrobial activity against Staphylococcus aureus, Escherichia coli and Aspergillus niger for all EOs were also evaluated. EOs from C. lipii, C. glomerata and C. calcitrapa exhibited significant MIC against S. aureus with an MIC value of 31.25 µg/mL.

Keywords
Centaurea species, Asteraceae, essential oils, antimicrobial, microwave-assisted extraction, hydro-distillation
National Category
Infectious Medicine
Identifiers
urn:nbn:se:su:diva-193850 (URN)10.3390/antibiotics10030252 (DOI)000633293400001 ()33802470 (PubMedID)
Available from: 2021-06-09 Created: 2021-06-09 Last updated: 2024-07-04Bibliographically approved
Ibrahim, M. A. A., Abdelrahman, A. H. M., Mohamed, T. A., Atia, M. A. M., Al-Hammady, M. A. M., Abdeljawaad, K. A. A., . . . Hegazy, M.-E. F. (2021). In Silico Mining of Terpenes from Red-Sea Invertebrates for SARS-CoV-2 Main Protease (M-pro) Inhibitors. Molecules, 26(7), Article ID 2082.
Open this publication in new window or tab >>In Silico Mining of Terpenes from Red-Sea Invertebrates for SARS-CoV-2 Main Protease (M-pro) Inhibitors
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2021 (English)In: Molecules, ISSN 1431-5157, E-ISSN 1420-3049, Vol. 26, no 7, article id 2082Article in journal (Refereed) Published
Abstract [en]

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the causative agent for the COVID-19 pandemic, which generated more than 1.82 million deaths in 2020 alone, in addition to 83.8 million infections. Currently, there is no antiviral medication to treat COVID-19. In the search for drug leads, marine-derived metabolites are reported here as prospective SARS-CoV-2 inhibitors. Two hundred and twenty-seven terpene natural products isolated from the biodiverse Red-Sea ecosystem were screened for inhibitor activity against the SARS-CoV-2 main protease (M-pro) using molecular docking and molecular dynamics (MD) simulations combined with molecular mechanics/generalized Born surface area binding energy calculations. On the basis of in silico analyses, six terpenes demonstrated high potency as M-pro inhibitors with Delta G(binding) <= -40.0 kcal/mol. The stability and binding affinity of the most potent metabolite, erylosides B, were compared to the human immunodeficiency virus protease inhibitor, lopinavir. Erylosides B showed greater binding affinity towards SARS-CoV-2 M-pro than lopinavir over 100 ns with Delta G(binding) values of -51.9 vs. -33.6 kcal/mol, respectively. Protein-protein interactions indicate that erylosides B biochemical signaling shares gene components that mediate severe acute respiratory syndrome diseases, including the cytokine- and immune-signaling components BCL2L1, IL2, and PRKC. Pathway enrichment analysis and Boolean network modeling were performed towards a deep dissection and mining of the erylosides B target-function interactions. The current study identifies erylosides B as a promising anti-COVID-19 drug lead that warrants further in vitro and in vivo testing.

Keywords
drug discovery, marine natural products, molecular docking, molecular dynamics, SARS-CoV-2 main protease, virtual drug screening
National Category
Biological Sciences Medical Biotechnology (with a focus on Cell Biology (including Stem Cell Biology), Molecular Biology, Microbiology, Biochemistry or Biopharmacy)
Identifiers
urn:nbn:se:su:diva-194363 (URN)10.3390/molecules26072082 (DOI)000638738200001 ()33916461 (PubMedID)
Available from: 2021-06-21 Created: 2021-06-21 Last updated: 2023-08-28Bibliographically approved
Ibrahim, M. A. A., Abdelrahman, A. H. M., Hussien, T. A., Badr, E. A. A., Mohamed, T. A., El-Seedi, H. R., . . . Hegazy, M.-E. F. (2020). In silico drug discovery of major metabolites from spices as SARS-CoV-2 main protease inhibitors. Computers in Biology and Medicine, 126, Article ID 104046.
Open this publication in new window or tab >>In silico drug discovery of major metabolites from spices as SARS-CoV-2 main protease inhibitors
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2020 (English)In: Computers in Biology and Medicine, ISSN 0010-4825, E-ISSN 1879-0534, Vol. 126, article id 104046Article in journal (Refereed) Published
Abstract [en]

Coronavirus Disease 2019 (COVID-19) is an infectious illness caused by Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2), originally identified in Wuhan, China (December 2019) and has since expanded into a pandemic. Here, we investigate metabolites present in several common spices as possible inhibitors of COVID-19. Specifically, 32 compounds isolated from 14 cooking seasonings were examined as inhibitors for SARS-CoV-2 main protease (MPrn), which is required for viral multiplication. Using a drug discovery approach to identify possible antiviral leads, in silico molecular docking studies were performed. Docking calculations revealed a high potency of salvianolic acid A and curcumin as MPr inhibitors with binding energies of 9.7 and 9.2 kcal/mol, respectively. Binding mode analysis demonstrated the ability of salvianolic acid A and curcumin to form nine and six hydrogen bonds, respectively with amino acids proximal to MPr 's active site. Stabilities and binding affinities of the two identified natural spices were calculated over 40 ns molecular dynamics simulations and compared to an antiviral protease inhibitor (lopinavir). Molecular mechanics-generalized Born surface area energy calculations revealed greater salvianolic acid A affinity for the enzyme over curcumin and lopinavir with energies of 44.8, 34.2 and 34.8 kcal/mol, respectively. Using a STRING database, protein-protein interactions were identified for salvianolic acid A included the biochemical signaling genes ACE, MAPK14 and ESR1; and for curcumin, EGFR and TNF. This study establishes salvianolic acid A as an in silico natural product inhibitor against the SARS-CoV-2 main protease and provides a promising inhibitor lead for in vitro enzyme testing.

Keywords
Spices, Secondary metabolites, SARS-CoV-2 main protease, Molecular dynamics, Molecular docking
National Category
Infectious Medicine
Identifiers
urn:nbn:se:su:diva-188191 (URN)10.1016/j.compbiomed.2020.104046 (DOI)000582723600036 ()33065388 (PubMedID)
Available from: 2020-12-29 Created: 2020-12-29 Last updated: 2022-03-02Bibliographically approved
Hussien, T. A., Mahmoud, A. A., Mohamed, N. S., Shahat, A. A., El-Seedi, H. R. & Hegazy, M.-E. F. (2020). New Rare Ent-Clerodane Diterpene Peroxides from Egyptian Mountain Tea (Qourtom) and Its Chemosystem as Herbal Remedies and Phytonutrients Agents. Molecules, 25(9), Article ID 2172.
Open this publication in new window or tab >>New Rare Ent-Clerodane Diterpene Peroxides from Egyptian Mountain Tea (Qourtom) and Its Chemosystem as Herbal Remedies and Phytonutrients Agents
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2020 (English)In: Molecules, ISSN 1431-5157, E-ISSN 1420-3049, Vol. 25, no 9, article id 2172Article in journal (Refereed) Published
Abstract [en]

Genus Stachys, the largest genera of the family Lamiaceae, and its species are frequently used as herbal teas due to their essential oils. Tubers of some Stachys species are also consumed as important nutrients for humans and animals due to their carbohydrate contents. Three new neo-clerodane diterpene peroxides, named stachaegyptin F-H (1, 2, and 4), together with two known compounds, stachysperoxide (3) and stachaegyptin A (5), were isolated from Stachys aegyptiaca aerial parts. Their structures were determined using a combination of spectroscopic techniques, including HR-FAB-MS and extensive 1D and 2D NMR (H-1, C-13 NMR, DEPT, H-1-H-1 COSY, HMQC, HMBC and NOESY) analyses. Additionally, a biosynthetic pathway for the isolated compounds (1-5) was discussed. The chemotaxonomic significance of the isolated diterpenoids of S. aegyptiaca in comparison to the previous reported ones from other Stachys species was also studied.

Keywords
Stachys aegyptiaca, lamiaceae, herbal tea, nutrients, neo-clerodane diterpene peroxides
National Category
Chemical Sciences Biological Sciences
Identifiers
urn:nbn:se:su:diva-183132 (URN)10.3390/molecules25092172 (DOI)000535695900168 ()32384789 (PubMedID)
Available from: 2020-07-06 Created: 2020-07-06 Last updated: 2023-08-28Bibliographically approved
Identifiers
ORCID iD: ORCID iD iconorcid.org/0000-0002-0343-4969

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