Chemical compositions and experimental and computational modeling activity of sea cucumber Holothuria parva ethanolic extract against herpes simplex virus type 1

Keshavarz, Mohsen; Shamsizadeh, Forough; Tavakoli, Ahmad; Baghban, Neda; Khoradmehr, Arezoo; Kameli, Ali; Rasekh, Poorya; Daneshi, Adel; Nabipour, Iraj; Vahdat, Katayoun; Farrokhnia, Maryam; Tamadon, Amin

doi:10.1016/j.biopha.2021.111936

Cited by 13 publications

(6 citation statements)

References 27 publications

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“…Pinocarveol showed the highest affinity to cyclin D3 in our present study. Diisooctyl phthalate, also known as 1,2-benzene dicarboxylic acid, dioctyl ester, has been shown previously in the sea cucumber [ 55 ], and 1,2-benzene dicarboxylic acid, dioctyl ester has antioxidant activity [ 56 ]. Diisooctyl phthalate had a fungi toxic effect on six fungi and cytotoxic activity on newborn shrimp [ 57 ].…”

Section: Discussionmentioning

confidence: 99%

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Proliferative Effect of Aqueous Extract of Sea Cucumber (Holothuria parva) Body Wall on Human Umbilical Cord Mesenchymal Stromal/Stem Cells

et al. 2023

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Sea cucumber extracts and their bioactive compounds have the potential for stem cell proliferation induction and for their beneficial therapeutic properties. In this study, human umbilical cord mesenchymal stromal/stem cells (hUC-MSCs) were exposed to an aqueous extract of Holothuria parva body walls. Proliferative molecules were detected using gas chromatography-mass spectrometry (GC-MS) analysis in an aqueous extract of H. parva. The aqueous extract concentrations of 5, 10, 20, 40, and 80 µg/mL and 10 and 20 ng/mL of human epidermal growth factor (EGF) as positive controls were treated on hUC-MSCs. MTT, cell count, viability, and cell cycle assays were performed. Using Western blot analysis, the effects of extracts of H. parva and EGF on cell proliferation markers were detected. Computational modeling was done to detect effective proliferative compounds in the aqueous extract of H. parva. A MTT assay showed that the 10, 20, and 40 µg/mL aqueous extract of H. parva had a proliferative effect on hUC-MSCs. The cell count, which was treated with a 20 µg/mL concentration, increased faster and higher than the control group (p < 0.05). This concentration of the extract did not have a significant effect on hUC-MSCs’ viability. The cell cycle assay of hUC-MSCs showed that the percentage of cells in the G2 stage of the extract was biologically higher than the control group. Expression of cyclin D1, cyclin D3, cyclin E, HIF-1α, and TERT was increased compared with the control group. Moreover, expression of p21 and PCNA decreased after treating hUC-MSCs with the extract. However, CDC-2/cdk-1 and ERK1/2 had almost the same expression as the control group. The expression of CDK-4 and CDK-6 decreased after treatment. Between the detected compounds, 1-methyl-4-(1-methyl phenyl)-benzene showed better affinity to CDK-4 and p21 than tetradecanoic acid. The H. parva aqueous extract showed proliferative potential on hUC-MSCs.

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Section: Discussionmentioning

confidence: 99%

“…The prepared mixture was filtered using Whatman 125 mm filter paper. Following filtration, we freeze-dried the liquid for 12 h and stored the final powder, which was about 1 gr at −80 °C [ 55 ].…”

Section: Methodsmentioning

confidence: 99%

Proliferative Effect of Aqueous Extract of Sea Cucumber (Holothuria parva) Body Wall on Human Umbilical Cord Mesenchymal Stromal/Stem Cells

et al. 2023

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“…In addition, two new triterpenoid glycosides A and B isolated from sea cucumber showed antiviral activities against HSV-1 at concentrations below 10 ug/mL ( Maier et al., 2001 ). Moreover, the main components of the ethanol extract of sea cucumber are Octadecanoic acid ether ester and cetoxylide, which showed low cytotoxicity to Vero cells ( Keshavarz et al., 2021 ). Further studies showed that these two components may interact with the binding domain of the virus and cell receptors, leading to interference with the attachment of HSV to its cell receptors ( Farshadpour et al., 2014 ).…”

Section: Anti-hsv Effects Of Natural Compounds Obtained From Marine O...mentioning

confidence: 99%

Anti-herpes simplex virus activities and mechanisms of marine derived compounds

Hao,

Xu,

et al. 2024

Front. Cell. Infect. Microbiol.

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Herpes simplex virus (HSV) is the most widely prevalent herpes virus worldwide, and the herpetic encephalitis and genital herpes caused by HSV infection have caused serious harm to human health all over the world. Although many anti-HSV drugs such as nucleoside analogues have been ap-proved for clinical use during the past few decades, important issues, such as drug resistance, toxicity, and high cost of drugs, remain unresolved. Recently, the studies on the anti-HSV activities of marine natural products, such as marine polysaccharides, marine peptides and microbial secondary metabolites are attracting more and more attention all over the world. This review discusses the recent progress in research on the anti-HSV activities of these natural compounds obtained from marine organisms, relating to their structural features and the structure-activity relationships. In addition, the recent findings on the different anti-HSV mechanisms and molecular targets of marine compounds and their potential for therapeutic application will also be summarized in detail.

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“…Although numerous qualitative aging experiments exist on the antioxidation mechanism of antioxidant molecules, quantitative studies involving molecular insights into the antioxidant efficiency of natural antioxidant molecules are still inadequate. Computational tools predict materials’ dynamic and quantum mechanical (QM) properties on multiple scales. − Molecular theories have made the utmost advancement in the field of polymer nanocomposites for calculating equilibrium phase and macroscopic properties. − Thus, QM and MD simulations were meant to be carried out to investigate the relationship between the molecular structure and the chemical nature of the antioxidant molecules. The present study thus aims to examine the influence of the interfacial interactions among the antioxidants, polymer, and fillers on the interfacial bonding and the interphase antioxidant properties of the model nanocomposites, which are difficult to access experimentally.…”

Section: Introductionmentioning

confidence: 99%

Molecular Insights into Antioxidant Efficiency of Melanin: A Sustainable Antioxidant for Natural Rubber Formulations

Abdul Sattar,

Patnaik

2023

J. Phys. Chem. B

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N-(1,3-Dimethyl butyl)-N′-phenyl-p-phenylenediamine (6-PPD) is a worldwide antioxidant commonly added to delay the thermo-oxidative degradation of tire rubbers. Unfortunately, 6PPD and its transformation product 6PPD-quinone are toxic to aquatic organisms (e.g., coho salmon). Herein, we explore the free radical scavenging activity and protective mechanism of melanin (MLN) on natural rubber's (NR's) oxidative resistance using molecular dynamics (MD) and quantum mechanical (QM) calculations. The relationship between the molecular structure and the chemical nature of the antioxidant molecules via transition state calculations is explored to unravel the reaction mechanisms of antioxidants interacting with peroxy radicals (ROO • ) of NR with the estimation of reaction barriers. Following this, the radical scavenging activity of antioxidants was quantified via a hydrogen atom transfer mechanism and bond dissociation energy calculations. Parallel MD simulations were considered to study the interfacial interactions of antioxidant molecules with polymer chains and fillers with a quantifiable structure−property correlation. Given these results, the nanocomposite (NR-MLN-SiO 2 ) with natural antioxidant melanin manifested outstanding antioxidant properties by preferentially bagging the ROO • radicals, thus improving NR's thermal-oxidative aging relative to 6-PPD. The MD results revealed that the intermolecular interactions at the NR/antioxidant interface benefited the antioxidant MLN to bind tightly to the NR in NR-MLN-SiO 2 composite, thus exhibiting improved dispersion, O 2 barrier properties, and thermo-oxidative stability, which could extend the service life of NR products (e.g., tires). In addition, as a sustainable antioxidant, MLN could replace toxic antioxidants like 6-PPD. More importantly, the QM/MD simulations provided a fundamental understanding of the mechanistic pathways of antioxidant molecules in NR composites, which are conducive to designing highperformance and sustainable green elastomers.

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Chemical compositions and experimental and computational modeling activity of sea cucumber Holothuria parva ethanolic extract against herpes simplex virus type 1

Cited by 13 publications

References 27 publications

Proliferative Effect of Aqueous Extract of Sea Cucumber (Holothuria parva) Body Wall on Human Umbilical Cord Mesenchymal Stromal/Stem Cells

Proliferative Effect of Aqueous Extract of Sea Cucumber (Holothuria parva) Body Wall on Human Umbilical Cord Mesenchymal Stromal/Stem Cells

Anti-herpes simplex virus activities and mechanisms of marine derived compounds

Molecular Insights into Antioxidant Efficiency of Melanin: A Sustainable Antioxidant for Natural Rubber Formulations

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