Green-synthesized zinc oxide nanoparticles, anti-Alzheimer potential and the metabolic profiling of <i>Sabal blackburniana</i> grown in Egypt supported by molecular modelling

El-Hawwary, Seham S.; Almaksoud, Hanan M Abd; Saber, Fatema R.; Elimam, Hanan; Sayed, Ahmed M.; Raey, Mohamed A. El; Abdelmohsen, Usama Ramadan

doi:10.1039/d1ra01725j

Cited by 31 publications

(25 citation statements)

References 68 publications

(76 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…AP5-derived extract to the neural networking and pharmacophore-based prediction software PASS. This platform has proven successful in its predictions, particularly for those with a probability higher than Pa = 0.5 [ 26 , 48 , 49 , 50 , 51 , 52 , 53 ].…”

Section: Resultsmentioning

confidence: 99%

The Chemical Profiling, Docking Study, and Antimicrobial and Antibiofilm Activities of the Endophytic fungi Aspergillus sp. AP5

et al. 2022

Self Cite

View full text Add to dashboard Cite

Growing data suggest that Aspergillus niger, an endophytic fungus, is a rich source of natural compounds with a wide range of biological properties. This study aimed to examine the antimicrobial and antibiofilm capabilities of the Phragmites australis-derived endophyte against a set of pathogenic bacteria and fungi. The endophytic fungus Aspergillus sp. AP5 was isolated from the leaves of P. australis. The chemical profile of the fungal crude extract was identified by spectroscopic analysis using LC-HRESIMS. The fungal-derived extract was evaluated for its antimicrobial activity towards a set of pathogenic bacterial and fungal strains including Staphylococcus aureus, Pseudomonas aeruginosa, Proteus vulgaris, Klebsiella sp., Candida albicans, and Aspergillus niger. Moreover, antibiofilm activity toward four resistant biofilm-forming bacteria was also evaluated. Additionally, a neural-networking pharmacophore-based visual screening predicted the most probable bioactive compounds in the obtained extract. The AP5-EtOAc extract was found to have potent antibacterial activities against S. aureus, E. coli, and Klebsiella sp., while it exhibited low antibacterial activity toward P. Vulgaris and P. aeruginosa and displayed anticandidal activity. The AP5-EtOAc extract had significant antibiofilm activity in S. aureus, followed by P. aeruginosa. The active metabolites’ antifungal and/or antibacterial activities may be due to targeting the fungal CYP 51 and/or the bacterial Gyr-B.

show abstract

Section: Resultsmentioning

confidence: 99%

The Chemical Profiling, Docking Study, and Antimicrobial and Antibiofilm Activities of the Endophytic fungi Aspergillus sp. AP5

et al. 2022

Self Cite

View full text Add to dashboard Cite

show abstract

“…Accordingly, we subjected the metabolites (1-25) identified in the P. lamellosa-derived extracts (i.e., CE and EE) to the neural networking-based prediction software PASS. This software has shown very good success rate in its predictions, particularly for predictions higher than Pa = 0.5 [27][28][29][30][31][32][33].…”

Section: Target Prediction and Docking Analysismentioning

confidence: 99%

“…Moreover, they showed a number of hydrophobic interactions with LEU-5, MET-21, HIS-46, TYR-50, and LYS-6 (Figure 6). sPLA2 has been reported to have a crucial role in the growth and development of different types of human cancers (e.g., breast, prostate, liver, and skin), and identified to be a promising target to control these types of tumors [24][25][26][27][28][29][30][31][32][33][34][35].…”

Section: Target Prediction and Docking Analysismentioning

confidence: 99%

“…It is worth noting that the compounds 1-15 have also shown to be COX inhibitors according to PASS prediction; however, their scoring was poor (Pa < 0.5) (Figure 7). sPLA2 has been reported to have a crucial role in the growth and development of different types of human cancers (e.g., breast, prostate, liver, and skin), and identified to be a promising target to control these types of tumors [22,[24][25][26][27][28][29][30][31][32][33][34].…”

Section: Target Prediction and Docking Analysismentioning

confidence: 99%

See 1 more Smart Citation

Anti-Cancer and Anti-Inflammatory Potential of the Green Synthesized Silver Nanoparticles of the Red Sea Sponge Phyllospongia lamellosa Supported by Metabolomics Analysis and Docking Study

et al. 2021

View full text Add to dashboard Cite

Background: The Red Sea sponges have been endorsed as a plentiful source of bioactive compounds with promising anti-cancer and anti-inflammatory activities; therefore, exploring their potential as a source of anti-cancer metabolites has stimulated a growing research interest. Purpose: To investigate the anti-cancer and anti-inflammatory potential of the Red Sea sponges, in their bulk and silver nanostructure. Metabolomics analysis of the selected sponge followed by molecular docking studies, will be conducted to explore and predict the secondary metabolites that might provide its capability of inhibiting cancer. Materials and Methods: We prepared a chloroform extract (CE) and ethyl acetate extract (EE) of the Red Sea sponge Phyllospongia lamellosa synthesized silver nanoparticles. The prepared silver nanoparticles were characterized through UV–vis spectrophotometric, transmission electron microscopy (TEM), and Fourier-transform infrared spectroscopy (FTIR) analyses. Testing for their anti-cancer activities was performed against MCF-7, MDB-231, and MCF-10A cells. Anti-inflammatory activity against COX-1 and 2 was assessed. Furthermore, liquid chromatography–mass spectrometry (LC–MS)-based metabolomics analysis and molecular docking were also applied.

show abstract

“…10 In addition, Glu202 has been reported as a key residue of AChE with an important role in phosphorylation, 7 spontaneous reactivation, 11 and aging. 8 Although Glu202 has long been considered as negatively charged in many studies, [11][12][13][14][15] there exists evidence suggesting that Glu202 is more likely to be protonated. For example, AChE is more stable when both Glu202 and Glu450 are protonated.…”

Section: Introductionmentioning

confidence: 99%

The protonation state of Glu202 in acetylcholinesterase

et al. 2021

View full text Add to dashboard Cite

show abstract

Green-synthesized zinc oxide nanoparticles, anti-Alzheimer potential and the metabolic profiling of Sabal blackburniana grown in Egypt supported by molecular modelling

Abstract: Schematic diagram representing the current study.

Cited by 31 publications

References 68 publications

The Chemical Profiling, Docking Study, and Antimicrobial and Antibiofilm Activities of the Endophytic fungi Aspergillus sp. AP5

The Chemical Profiling, Docking Study, and Antimicrobial and Antibiofilm Activities of the Endophytic fungi Aspergillus sp. AP5

Anti-Cancer and Anti-Inflammatory Potential of the Green Synthesized Silver Nanoparticles of the Red Sea Sponge Phyllospongia lamellosa Supported by Metabolomics Analysis and Docking Study

The protonation state of Glu202 in acetylcholinesterase

Contact Info

Product

Resources

About