Extraction and Identification of the Sea Cucumber Holothuria Parva, Secondary Metabolites and Investigation of Their Potential Anti-SARS-Cov-2 Activities Using Molecular Docking.
- 1Department of Marine Biology, Faculty of Marine Science and Oceanography, Khorramshahr University of Marine Science and Technology, Khorramshahr, Iran.
Abstract
Background
Sea cucumbers are a class of valuable marine invertebrates, recognized for their importance in food and traditional medicine across many Asian countries. Their extracts contain various bioactive compounds, including phenolic compounds and saponins, which are of interest in medicinal chemistry. On the other hand, Considering the challenge of the viral disease COVID-19 still exists, and up to this time, the main protease (MPro) and papain-like protease (PLPro) of SARS-CoV-2 are key targets for developing and introducing molecules that act as anti-SARS-CoV-2 replication agents, whether these molecules are derived from natural sources or synthesized.Objectives
This study aimed to extract and identify phenolic compounds and saponins from the dominant species of sea cucumber (Holothuroidae) found on selected beaches in Bushehr Province, and subsequently investigate their potential anti-SARS-CoV-2 properties using molecular docking.Materials and methods
In this research, we obtained an extract from the sea cucumber species Holothuria parva. Also, we confirmed the presence of phenolic compounds and saponins using high-performance thin-layer chromatography (HPTLC). Additionally, we identified the phenolic compounds through liquid chromatography-mass spectrometry (LC-MS) analysis. The molecular docking analysis (using AutoDockVina software) of our compounds on six targets, which play significant roles in the treatment of COVID-19, was conducted in this research.Results
The purpose of conducting these molecular docking analyses was to observe the interactions of the bioactive compounds from sea cucumbers of the Holothuroidea family with the active sites and putative allosteric hotspots of the MPro and PLPro of SARS-CoV-2, which will undoubtedly be a breakthrough in achieving anti-viral COVID-19 medicinal purposes. After extracting and identifying the secondary metabolites of the sea cucumber Holothuria parva (especially phenolic compounds and saponins), we conducted a series of molecular docking studies on the mentioned targets and achieved satisfactory results.Conclusion
Briefly, the molecular docking investigation results indicated that saponins have better binding energies and interactions than phenolic compounds on five of the six mentioned targets (viz. active sites of the MPro and PLpro, as well as putative allosteric hotspots of the MPro). Also, ellagic acid was better than others on the allosteric site of the SARS-CoV-2 PLpro.
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BibTeX
@article{roshani2026extraction,
title = {{Extraction and Identification of the Sea Cucumber Holothuria Parva, Secondary Metabolites and Investigation of Their Potential Anti-SARS-Cov-2 Activities Using Molecular Docking.}},
author = {Maryam Roshani and Bita Archangi and Faede Amini},
journal = {Iranian journal of biotechnology},
year = {2026},
month = oct,
doi = {10.30498/ijb.2026.505043.4076},
url = {https://europepmc.org/article/MED/42928821},
note = {CC BY-NC},
}
RIS
TY - JOUR
TI - Extraction and Identification of the Sea Cucumber Holothuria Parva, Secondary Metabolites and Investigation of Their Potential Anti-SARS-Cov-2 Activities Using Molecular Docking.
AU - Maryam Roshani
AU - Bita Archangi
AU - Faede Amini
PY - 2026
DA - 2026/10/01
JO - Iranian journal of biotechnology
DO - 10.30498/ijb.2026.505043.4076
UR - https://europepmc.org/article/MED/42928821
AB - Background Sea cucumbers are a class of valuable marine invertebrates, recognized for their importance in food and traditional medicine across many Asian countries. Their extracts contain various bioactive compounds, including phenolic compounds and saponins, which are of interest in medicinal chemistry. On the other hand, Considering the challenge of the viral disease COVID-19 still exists, and up to this time, the main protease (MPro) and papain-like protease (PLPro) of SARS-CoV-2 are key targets for developing and introducing molecules that act as anti-SARS-CoV-2 replication agents, whether these molecules are derived from natural sources or synthesized.Objectives This study aimed to extract and identify phenolic compounds and saponins from the dominant species of sea cucumber (Holothuroidae) found on selected beaches in Bushehr Province, and subsequently investigate their potential anti-SARS-CoV-2 properties using molecular docking.Materials and methods In this research, we obtained an extract from the sea cucumber species Holothuria parva. Also, we confirmed the presence of phenolic compounds and saponins using high-performance thin-layer chromatography (HPTLC). Additionally, we identified the phenolic compounds through liquid chromatography-mass spectrometry (LC-MS) analysis. The molecular docking analysis (using AutoDockVina software) of our compounds on six targets, which play significant roles in the treatment of COVID-19, was conducted in this research.Results The purpose of conducting these molecular docking analyses was to observe the interactions of the bioactive compounds from sea cucumbers of the Holothuroidea family with the active sites and putative allosteric hotspots of the MPro and PLPro of SARS-CoV-2, which will undoubtedly be a breakthrough in achieving anti-viral COVID-19 medicinal purposes. After extracting and identifying the secondary metabolites of the sea cucumber Holothuria parva (especially phenolic compounds and saponins), we conducted a series of molecular docking studies on the mentioned targets and achieved satisfactory results.Conclusion Briefly, the molecular docking investigation results indicated that saponins have better binding energies and interactions than phenolic compounds on five of the six mentioned targets (viz. active sites of the MPro and PLpro, as well as putative allosteric hotspots of the MPro). Also, ellagic acid was better than others on the allosteric site of the SARS-CoV-2 PLpro.
SN - 1728-3043
SN - 2322-2921
ER -