Phytochemical profiling, antibacterial, and antibiofilm activities of Sargassum sp. (brown algae) from the Red Sea: ADMET prediction and molecular docking analysis

Alreshidi, Mousa; Badraoui, Riadh; Adnan, Mohd; Patel, Mitesh; Alotaibi, Ahmed; Ghandourah, Mohammed A.; Al-Motair, Khalid; Arif, Ibrahim A.; Albulaihed, Yazeed; Snoussi, Mejdi

doi:10.1016/j.algal.2022.102912

Cited by 15 publications

(17 citation statements)

References 39 publications

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“…It is noteworthy that many of these xenobiotics are also CYP3A4 substrates [ 62 , 63 ]. As a result, our compounds show comparable absorption parameter values that were previously observed in recent studies [ 64 , 65 ]. A medication’s apparent efficacy depends on its ability to be absorbed by the human gut.…”

Section: Discussionsupporting

confidence: 88%

Effects of Silybum marianum L. Seed Extracts on Multi Drug Resistant (MDR) Bacteria

El-Sapagh,

Allam,

El-Sayed

et al. 2023

Molecules

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Wound infections became a great challenge, especially after the emergence of bacterial resistance to commonly used antibiotics. Medicinal plants can be the source of alternative antibacterial agents effective against multi drug resistant (MDR) bacteria. This research aimed to evaluate the effectiveness of different Silybum marianum seed extracts in fighting MDR bacteria that infect wounds. First, thirty purified bacterial cultures obtained from superficial, infected wounds were subjected to antibiotic sensitivity tests. The selected MDR isolates were then used to test the antimicrobial effects of different S. marianum seed extracts. The most potent extract was evaluated for its impact on the ultrastructure of the cells of sensitive bacterial isolates using transmission electron microscopy (TEM). The bioactive ingredients of this extract were analyzed by means of gas chromatography–mass spectroscopy (GC–MS). Then, in-silico absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties were predicted for the main components. The results indicated that four out of 30 bacterial isolates were considered MDR bacteria. Primary morphological features of colonies, secondary (automatic) identification using the Biomerieux Vitek 2 System, and 16S rRNA sequencing of the four isolates confirmed that they represent Staphylococcus aureus, Stenotrophomonas maltophilia, Klebsiella pneumoniae, and Escherichia coli. Among different extracts of S. marianum seeds, ethanol extract showed the strongest inhibitory effect on both Gram-positive and Gram-negative bacteria, with minimum inhibitory concentration (MIC) values between 9.375 and 1.172 mg/mL. However, at concentrations four times higher, this extract was unable to kill bacterial cells, indicating that it had a bacteriostatic effect on the tested MDR strains. TEM revealed denaturation and distorted cell ultrastructure in S. aureus and S. maltophilia after exposure to ethanol extract. In addition, GC–MS analysis of the ethanol extract identified nine compounds known to have important biological activities, and ADMET analysis showed good drug-likeness for two of these compounds. Consequently, S. marianum seeds could be a good source of alternative bacteriostatic agents effective against MDR bacterial strains that cause wound infections.

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Section: Discussionsupporting

confidence: 88%

Effects of Silybum marianum L. Seed Extracts on Multi Drug Resistant (MDR) Bacteria

El-Sapagh,

Allam,

El-Sayed

et al. 2023

Molecules

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“…These effects have already been approaved by the in vitro approaches and the in vivo results on TBZintoxicated rats. Our results also confirm the promising antimicrobial and antioxidant effects of the medicinal plants and the natural-derived compounds including algae [59,62,63,64]. These effects may also include the acceptable bioavailability and the pharmacokinetic properties of the algal monosaccharides, which had been previously reported.…”

Section: Histopathological Analysis Of Liver Tissuesupporting

confidence: 89%

Mitigation of Hepatic Impairment with Polysaccharides from Red Alga <em>Alsidium corallinum</em> Supplementation through Promoting the Lipid Profile and Liver Homeostasis in Tebuconazole-Exposed Rats

Ben Saad,

Frikha dammak,

Bouallegue

et al. 2023

Preprint

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Sulfated polysaccharides from seaweed are highly active natural substances having valuable applications. In the present paper, attempts have been made to discuss the physicochemical and structural features of polysaccharides isolated from red marine alga Alsidium corallinum (ACPs) and its protective effect in hepatic impairments induced by tebuconazole (TBZ) in rats. Structural features were determined using High performance liquid chromatography, Fourier transformed infrared, and solid state 1H and 13C-Nuclear magnetic resonance analysis. ACPs are found to be hetero-sulfated-anionic polysaccharides that contained carbohydrates, sulfate groups and uronic acids. In vitro biological activities suggested the effective antioxidant and antimicrobial capacities of ACPs. For antioxidant testing in vivo, the biochemical analysis and plasma profiles displayed that oral administration of ACPs could mitigate blood lipid indicators, including total cholesterol, triglyceride, low and high density lipoprotein cholesterol, bilirubin, liver function indexes involving alanine aminotransferase and aspartate aminotransferase, showed that ACPs possessed obvious antioxidant activities. Besides, the intervention of ACPs potentially inhibited lipid peroxidation, protein oxidation, key enzymes of lipid metabolism (<0.001) and increased levels and antioxidant status (<0.05). Histomorphological observation confirmed that ACPs intervention could partially repair liver injuries caused by TBZ. The computational results showed that A. corallinum monosaccharides bound 1JIJ, 1HD2 and 1WL4 receptors with acceptable affinities, which together with deep embedding and molecular interactions support the antioxidant, antimicrobial and hypolipidemic outlined effects in the in vitro and in vivo findings. In view of their prominent antioxidant effects, ACPs stand for promising candidates in liver diseases and need be considered in pharmaceutical applications.

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“…The best binding scores were predicted to galactose then to glucose while complexed to the TyrRS from S. aureus receptor, which may contribute to their highest biological activities, precisely the antimicrobial effect ( Table 5 and Figure 11 ). Galactose established good molecular interactions with the targeted receptors that showed 5 or 7 conventional H-bonds supported with a network of carbon H-bonds, hydrophobic and/or electrostatic bonds, which significantly contribute to the stability of the complexes [ 61 , 62 , 63 , 64 ]. These molecular interactions included several key residues.…”

Section: Resultsmentioning

confidence: 99%

Mitigation of Hepatic Impairment with Polysaccharides from Red Alga Albidum corallinum Supplementation through Promoting the Lipid Profile and Liver Homeostasis in Tebuconazole-Exposed Rats

Ben Saad,

Frikha,

Bouallegue

et al. 2023

Pharmaceuticals

Self Cite

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Sulfated polysaccharides from seaweed are highly active natural substances with valuable applications. In the present paper, attempts have been made to discuss the physicochemical and structural features of polysaccharides isolated from red marine alga Alsidium corallinum (ACPs) and their protective effect in hepatic impairments induced by tebuconazole (TEB) in male adult rats. Structural features were determined using high-performance liquid chromatography, Fourier-transformed infrared, and solid-state 1H and 13C-Nuclear magnetic resonance analysis. ACPs are found to be hetero-sulfated-anionic polysaccharides that contain carbohydrates, sulfate groups, and uronic acids. In vitro biological activities suggested the effective antioxidant and antimicrobial capacities of ACPs. For antioxidant testing in vivo, the biochemical analysis and plasma profiles displayed that oral administration of ACPs could mitigate blood lipid indicators, including total cholesterol, triglyceride, low and high-density lipoprotein cholesterol, and bilirubin. Liver function indexes involving alanine aminotransferase and aspartate aminotransferase showed that ACPs possessed prominent antioxidant activities. Additionally, the intervention of ACPs potentially inhibited lipid peroxidation, protein oxidation, key enzymes of lipid metabolism (<0.001), and improved antioxidant status (<0.05). Histomorphological observation confirmed that ACPs intervention could partially repair liver injuries caused by TEB. The computational results showed that A. corallinum monosaccharides bound 1JIJ, 1HD2, and 1WL4 receptors with acceptable affinities, which, together with deep embedding and molecular interactions, support the antioxidant, antimicrobial, and hypolipidemic outlined effects in the in vitro and in vivo findings. Given their prominent antioxidant effects, ACPs are promising candidates for liver diseases and must be considered in pharmaceutical applications.

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Phytochemical profiling, antibacterial, and antibiofilm activities of Sargassum sp. (brown algae) from the Red Sea: ADMET prediction and molecular docking analysis

Cited by 15 publications

References 39 publications

Effects of Silybum marianum L. Seed Extracts on Multi Drug Resistant (MDR) Bacteria

Effects of Silybum marianum L. Seed Extracts on Multi Drug Resistant (MDR) Bacteria

Mitigation of Hepatic Impairment with Polysaccharides from Red Alga <em>Alsidium corallinum</em> Supplementation through Promoting the Lipid Profile and Liver Homeostasis in Tebuconazole-Exposed Rats

Mitigation of Hepatic Impairment with Polysaccharides from Red Alga Albidum corallinum Supplementation through Promoting the Lipid Profile and Liver Homeostasis in Tebuconazole-Exposed Rats

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