Publications by authors named "Nourhan Hisham Shady"

9 Publications

  • Page 1 of 1

Targeting 3CLpro and SARS-CoV-2 RdRp by sp. Metabolites: A Computational Study.

Molecules 2021 Jun 21;26(12). Epub 2021 Jun 21.

Department of Pharmacognosy, Faculty of Pharmacy, Deraya University, Universities Zone, New Minia City 61111, Egypt.

Since December 2019, novel coronavirus disease 2019 (COVID-19) pandemic has caused tremendous economic loss and serious health problems worldwide. In this study, we investigated 14 natural compounds isolated from sp. via a molecular docking study, to examine their ability to act as anti-COVID-19 agents. Moreover, the pharmacokinetic properties of the most promising compounds were studied. The docking study showed that virtually screened compounds were effective against the new coronavirus via dual inhibition of SARS-CoV-2 RdRp and the 3CL main protease. In particular, nakinadine B (), 20-hepacosenoic acid () and amphimedoside C () were the most promising compounds, as they demonstrated good interactions with the pockets of both enzymes. Based on the analysis of the molecular docking results, compounds and were selected for molecular dynamics simulation studies. Our results showed sp. to be a rich source for anti-COVID-19 metabolites.
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http://dx.doi.org/10.3390/molecules26123775DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8235472PMC
June 2021

Cytotoxic activity of actinomycetes sp. and s sp. associated with marine sponge sp.

Nat Prod Res 2021 May 27:1-6. Epub 2021 May 27.

Department of Pharmacognosy, Faculty of Pharmacy, Deraya University, New Minia City, Minia, Egypt.

Cancer is a hazard life-threatening disease, which affect huge population worldwide. Marine actinomycetes are considered as promising source for potential chemotherapeutic agents. In our study, we carried out metabolic profiling for sp. UR 86 and sp. UR 92 that were cultivated from the Red Sea sponge sp. to investigate their chemical diversity using different media conditions. The crude culture extracts were subjected to high-resolution mass spectrometry (HRMS) analysis. The chemical profiles of the different extracts of sp. UR 86 and sp. UR 92 revealed their richness in diverse metabolites and consequently twenty compounds () were annotated. Moreover, the obtained extracts of the differently cultivated sp. UR 86 and sp. UR 92 were investigated against three cell lines HepG2, MCF-7 and CACO2 and revealed the targeted cytotoxicity of sp. and sp. metabolites against the three cell lines.
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http://dx.doi.org/10.1080/14786419.2021.1931865DOI Listing
May 2021

Antiulcer Potential of L. cv. Arbequina Leaf Extract Supported by Metabolic Profiling and Molecular Docking.

Antioxidants (Basel) 2021 Apr 22;10(5). Epub 2021 Apr 22.

Department of Pharmacognosy, Faculty of Pharmacy, Deraya University, New Minia City, Minia 61111, Egypt.

Gastric ulceration is among the most serious humanpublic health problems. L. cv. Arbequina is one of the numerous olive varieties which have scarcely been studied. The reported antioxidant and anti-inflammatory potential of the olive plant make it a potential prophylactic natural product against gastric ulcers. Consequently, the main goal of this study is to investigate the gastroprotective effect of L. cv. Arbequina leaf extract. LC-HRMS-based metabolic profiling of the alcoholic extract of L. cv. Arbequina led to the dereplication of 18 putative compounds (-). In vivo indomethacin-induced gastric ulcer in a rat model was established and the extract was tested at a dose of 300 mg kg compared to cimetidine (100 mg kg). The assessment of gastric mucosal lesions and histopathology of gastric tissue was done. It has been proved that significantly decreased the ulcer index and protected the mucosa from lesions. The antioxidant potential of the extract was evaluated using three in vitro assays, HO scavenging, xanthine oxidase inhibitory, and superoxide radical scavenging activities and showed promising activities. Moreover, an in silico based study was performed on the putatively dereplicated compounds, which highlighted that 3-hydroxy tyrosol () and oleacein () can target the 5-lipoxygenase enzyme (5-LOX) as a protective mechanism against the pathogenesis of ulceration. Upon experimental validation, both compounds 3-hydroxy tyrosol (HT) and oleacein (OC) ( and , respectively) exhibited a significant in vitro 5-LOX inhibitory activity with IC values of 8.6 and 5.8 µg/mL, respectively. The present study suggested a possible implication of leaves as a potential candidate having gastroprotective, antioxidant, and 5-LOX inhibitory activity for the management of gastric ulcers.
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http://dx.doi.org/10.3390/antiox10050644DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8146603PMC
April 2021

Sterols and Triterpenes: Antiviral     Potential Supported by In-Silico Analysis.

Plants (Basel) 2020 Dec 26;10(1). Epub 2020 Dec 26.

Department of Pharmacognosy, Faculty of Pharmacy, Deraya University, Universities Zone, P.O. Box 61111, New Minia City, Minia 61519, Egypt.

The acute respiratory syndrome caused by the novel coronavirus (SARS-CoV-2) caused severe panic all over the world. The coronavirus (COVID-19) outbreak has already brought massive human suffering and major economic disruption and unfortunately, there is no specific treatment for COVID-19 so far. Herbal medicines and purified natural products can provide a rich resource for novel antiviral drugs. Therefore, in this review, we focused on the sterols and triterpenes as potential candidates derived from natural sources with well-reported in vitro efficacy against numerous types of viruses. Moreover, we compiled from these reviewed compounds a library of 162 sterols and triterpenes that was subjected to a computer-aided virtual screening against the active sites of the recently reported SARS-CoV-2 protein targets. Interestingly, the results suggested some compounds as potential drug candidates for the development of anti-SARS-CoV-2 therapeutics.
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http://dx.doi.org/10.3390/plants10010041DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7823815PMC
December 2020

Cytotoxic potential of the Red Sea sponge sp. supported by modelling and dereplication analysis.

Nat Prod Res 2020 Sep 25:1-6. Epub 2020 Sep 25.

Department of Pharmacognosy, Faculty of Pharmacy, Deraya University, Universities Zone, New Minia City, Minia, Egypt.

The chemical profile of the butanol fraction of the Red Sea sponge sp. was explored using liquid chromatography coupled with high-resolution mass spectrometry and identified compounds (). Moreover, cytotoxic activities of the total extract and other fractions were examined against three cell lines HEPG2, MCF7 and CACO2, revealed the powerful effect of the total extract and the butanol fraction against the three cell lines. Further chromatographic separation of the active butanol fraction yielded the isolation of three known compounds (). Molecular modelling was carried out with the active site of the SET protein. Docking study results revealed that amphiceramides A-B () and acetamidoglucosyl ceramide () showed the highest energy binding affinities and interaction in the binding site of SET protein. Additionally, ADME/Tox calculations were performed for the compounds to predict their pharmacokinetics profile. These results highlighted the valuable chemical entities of edon sp. as lead source for cytotoxic natural products.
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http://dx.doi.org/10.1080/14786419.2020.1825430DOI Listing
September 2020

Hepatitis C Virus NS3 Protease and Helicase Inhibitors from Red Sea Sponge () Species in Green Synthesized Silver Nanoparticles Assisted by in Silico Modeling and Metabolic Profiling.

Int J Nanomedicine 2020 12;15:3377-3389. Epub 2020 May 12.

Department of Pharmacognosy, Faculty of Pharmacy, Deraya University, Universities Zone, Minia 61111, Egypt.

Background: Hepatitis C virus (HCV) infection is a major cause of hepatic diseases all over the world. This necessitates the need to discover novel anti-HCV drugs to overcome emerging drug resistance and liver complications.

Purpose: Total extract and petroleum ether fraction of the marine sponge ( spp.) were used for silver nanoparticle (SNP) synthesis to explore their HCV NS3 helicase- and protease-inhibitory potential.

Methods: Characterization of the prepared SNPs was carried out with ultraviolet-visible spectroscopy, transmission electron microscopy, and Fourier-transform infrared spectroscopy. The metabolomic profile of different fractions was assessed using liquid chromatography coupled with high-resolution mass spectrometry. Fourteen known compounds were isolated and their HCV helicase and protease activities assessed using in silico modeling of their interaction with both HCV protease and helicase enzymes to reveal their anti-HCV mechanism of action. In vitro anti-HCV activity against HCV NS3 helicase and protease was then conducted to validate the computation results and compared to that of the SNPs.

Results: Transmission electron-microscopy analysis of NPs prepared from total extract and petroleum ether revealed particle sizes of 8.22-14.30 nm and 8.22-9.97 nm, and absorption bands at λ of 450 and 415 nm, respectively. Metabolomic profiling revealed the richness of spp. with different phytochemical classes. Bioassay-guided isolation resulted in the isolation of 14 known compounds with anti-HCV activity, initially revealed by docking studies. In vitro anti-HCV NS3 helicase and protease assays of both isolated compounds and NPs further confirmed the computational results.

Conclusion: Our findings indicate that , total extract, petroleum ether fraction, and derived NPs are promising biosources for providing anti-HCV drug candidates, with nakinadine B and 3,4-dihydro-6-hydroxymanzamine A the most potent anti-HCV agents, possessing good oral bioavailability and penetration power.
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http://dx.doi.org/10.2147/IJN.S233766DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7231760PMC
July 2020

Natural Product Repertoire of the Genus .

Mar Drugs 2018 Dec 30;17(1). Epub 2018 Dec 30.

Department of Pharmacognosy, Faculty of Pharmacy, Minia University, 61519 Minia, Egypt.

Marine sponges are a very attractive and rich source in the production of novel bioactive compounds. The sponges exhibit a wide range of pharmacological activities. The genus consists of various species, such as , , , and , along with a handful of undescribed species. The genus is a rich source of secondary metabolites containing diverse chemical classes, including alkaloids, ceramides, cerebrososides, and terpenes, with various valuable biological activities. This review covers the literature from January 1983 until January 2018 and provides a complete survey of all the compounds isolated from the genus and the associated microbiota, along with their corresponding biological activities, whenever applicable.
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http://dx.doi.org/10.3390/md17010019DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6357078PMC
December 2018

A new antitrypanosomal alkaloid from the Red Sea marine sponge Hyrtios sp.

J Antibiot (Tokyo) 2018 11 4;71(12):1036-1039. Epub 2018 Sep 4.

Department of Pharmacognosy, Faculty of Pharmacy, Minia University, Minia, 61519, Egypt.

The antitrypanosomally active crude extract of the sponge Hyrtios sp. was subjected to metabolomic analysis using liquid chromatography coupled with high resolution electrospray ionization mass spectrometry (LC-HR-ESIMS) for dereplication purposes. As a result, a new alkaloid, hyrtiodoline A (1), along with other four known compounds (2-5) were reported. The structures of compounds 1-5 were determined by spectroscopic analyses, including 1D and 2D nuclear magnetic resonance (NMR) and high-resolution electrospray ionization mass spectrometry (HRESI-MS) experiments, as well as comparison to the literature. We further investigated the antitrypanosomal activity of the five compounds, where compound 1 exhibited the most potent antitrypanosomal activity, with a half-maximal inhibitory concentration (IC) value of 7.48 µM after 72 h.
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http://dx.doi.org/10.1038/s41429-018-0092-5DOI Listing
November 2018

Bioactive Natural Products of Marine Sponges from the Genus Hyrtios.

Molecules 2017 May 11;22(5). Epub 2017 May 11.

Department of Pharmacognosy, Faculty of Pharmacy, Minia University, 61519 Minia, Egypt.

Marine sponges are known as a rich source for novel bioactive compounds with valuable pharmacological potential. One of the most predominant sponge genera is , reported to have various species such as , , , , and and a number of undescribed species. Members of the genus are a rich source of natural products with diverse and valuable biological activities, represented by different chemical classes including alkaloids, sesterterpenes and sesquiterpenes. This review covers the literature until June 2016, providing a complete survey of all compounds isolated from the genus with their corresponding biological activities whenever applicable.
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http://dx.doi.org/10.3390/molecules22050781DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6153753PMC
May 2017
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