Biological and molecular studies of phytoconstituents from Hordeum vulgare L. leaves: potential treatment for prostate (DU-145) and skin cancer (B16-F10) cell line
Abstract Barley, scientifically known as Hordeum vulgare (H. vulgare), is a versatile cereal grain that belongs to the family Poaceae. Barley has exhibited several pharmacological activities, including anti-diuretic, anti-malarial, anti-rheumatic, anti-dysentery, anti-diarrhoea, and in the treatment...
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SpringerOpen
2025-05-01
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| Series: | Beni-Suef University Journal of Basic and Applied Sciences |
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| Online Access: | https://doi.org/10.1186/s43088-025-00623-z |
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| author | Kiran Kangra Somdutt Mujwar Saloni Kakkar Vandana Garg Virender Kumar Navidha Aggarwal |
| author_facet | Kiran Kangra Somdutt Mujwar Saloni Kakkar Vandana Garg Virender Kumar Navidha Aggarwal |
| author_sort | Kiran Kangra |
| collection | DOAJ |
| description | Abstract Barley, scientifically known as Hordeum vulgare (H. vulgare), is a versatile cereal grain that belongs to the family Poaceae. Barley has exhibited several pharmacological activities, including anti-diuretic, anti-malarial, anti-rheumatic, anti-dysentery, anti-diarrhoea, and in the treatment of gastrointestinal disorders. The objective of this study was to assess the antioxidant, anti-inflammatory, and cytotoxic properties of leaves of H. vulgare. Eight extracts were prepared by the Soxhlation and maceration method by using solvents like petroleum ether, chloroform, hydro-alcohol, and water. The antioxidant activity of H. vulgare leaves was analysed through the 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay, while the anti-inflammatory activity was assessed through protein denaturation, anti-protease, and anti-lipoxygenase assays. Extracts prepared from the Soxhlation method showed maximum antioxidant and anti-inflammatory activity so they were further screened for cytotoxicity against skin and prostate cancer cell lines. Chloroform extract of leaves of H. vulgare prepared by the Soxhlation method (HSC) showed prominent cytotoxicity against skin cancer compared to prostate cancer. To identify the phytoconstituents present in the HSC extract, an analysis was conducted using high-performance thin-layer chromatography (HPTLC) and gas chromatography–mass spectrometry (GC–MS) techniques. The analysis revealed the presence of 16 different compounds in the HSC extract. Subsequently, all 16 compounds underwent in silico modelling to further investigate their cytotoxic properties against skin cancer. Notably, octadecenoic acid emerged as the most prominent compound in terms of its efficacy against skin cancer by inhibiting mitogen-activated protein kinase (MAPK). Molecular docking simulation studies were carried out followed by dynamic simulation to confirm their thermodynamic stability. The simulation results revealed a strong binding affinity of octadecenoic acid against MAPK which concludes that octadecenoic acid is a potential inhibitor of MAP kinase activity and is used in the treatment of skin cancer. |
| format | Article |
| id | doaj-art-971f0f1594794f69a7415019e99bb7b9 |
| institution | DOAJ |
| issn | 2314-8543 |
| language | English |
| publishDate | 2025-05-01 |
| publisher | SpringerOpen |
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| series | Beni-Suef University Journal of Basic and Applied Sciences |
| spelling | doaj-art-971f0f1594794f69a7415019e99bb7b92025-08-20T03:09:19ZengSpringerOpenBeni-Suef University Journal of Basic and Applied Sciences2314-85432025-05-0114112310.1186/s43088-025-00623-zBiological and molecular studies of phytoconstituents from Hordeum vulgare L. leaves: potential treatment for prostate (DU-145) and skin cancer (B16-F10) cell lineKiran Kangra0Somdutt Mujwar1Saloni Kakkar2Vandana Garg3Virender Kumar4Navidha Aggarwal5Department of Pharmaceutical Sciences, Maharshi Dayanand University, RohtakChitkara College of Pharmacy, Chitkara UniversityDepartment of Pharmaceutical Sciences, Maharshi Dayanand University, RohtakDepartment of Pharmaceutical Sciences, Maharshi Dayanand University, RohtakCollege of Pharmacy, Pandit Bhagwat Dayal Sharma, University of Health Sciences, RohtakMM College of Pharmacy, Maharishi Markandeshwar (Deemed to be University), Mullana, Ambala, HaryanaAbstract Barley, scientifically known as Hordeum vulgare (H. vulgare), is a versatile cereal grain that belongs to the family Poaceae. Barley has exhibited several pharmacological activities, including anti-diuretic, anti-malarial, anti-rheumatic, anti-dysentery, anti-diarrhoea, and in the treatment of gastrointestinal disorders. The objective of this study was to assess the antioxidant, anti-inflammatory, and cytotoxic properties of leaves of H. vulgare. Eight extracts were prepared by the Soxhlation and maceration method by using solvents like petroleum ether, chloroform, hydro-alcohol, and water. The antioxidant activity of H. vulgare leaves was analysed through the 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay, while the anti-inflammatory activity was assessed through protein denaturation, anti-protease, and anti-lipoxygenase assays. Extracts prepared from the Soxhlation method showed maximum antioxidant and anti-inflammatory activity so they were further screened for cytotoxicity against skin and prostate cancer cell lines. Chloroform extract of leaves of H. vulgare prepared by the Soxhlation method (HSC) showed prominent cytotoxicity against skin cancer compared to prostate cancer. To identify the phytoconstituents present in the HSC extract, an analysis was conducted using high-performance thin-layer chromatography (HPTLC) and gas chromatography–mass spectrometry (GC–MS) techniques. The analysis revealed the presence of 16 different compounds in the HSC extract. Subsequently, all 16 compounds underwent in silico modelling to further investigate their cytotoxic properties against skin cancer. Notably, octadecenoic acid emerged as the most prominent compound in terms of its efficacy against skin cancer by inhibiting mitogen-activated protein kinase (MAPK). Molecular docking simulation studies were carried out followed by dynamic simulation to confirm their thermodynamic stability. The simulation results revealed a strong binding affinity of octadecenoic acid against MAPK which concludes that octadecenoic acid is a potential inhibitor of MAP kinase activity and is used in the treatment of skin cancer.https://doi.org/10.1186/s43088-025-00623-zHordeum vulgareCytotoxicityHPTLCGC–MSIn silico modellingMolecular dynamic simulation |
| spellingShingle | Kiran Kangra Somdutt Mujwar Saloni Kakkar Vandana Garg Virender Kumar Navidha Aggarwal Biological and molecular studies of phytoconstituents from Hordeum vulgare L. leaves: potential treatment for prostate (DU-145) and skin cancer (B16-F10) cell line Beni-Suef University Journal of Basic and Applied Sciences Hordeum vulgare Cytotoxicity HPTLC GC–MS In silico modelling Molecular dynamic simulation |
| title | Biological and molecular studies of phytoconstituents from Hordeum vulgare L. leaves: potential treatment for prostate (DU-145) and skin cancer (B16-F10) cell line |
| title_full | Biological and molecular studies of phytoconstituents from Hordeum vulgare L. leaves: potential treatment for prostate (DU-145) and skin cancer (B16-F10) cell line |
| title_fullStr | Biological and molecular studies of phytoconstituents from Hordeum vulgare L. leaves: potential treatment for prostate (DU-145) and skin cancer (B16-F10) cell line |
| title_full_unstemmed | Biological and molecular studies of phytoconstituents from Hordeum vulgare L. leaves: potential treatment for prostate (DU-145) and skin cancer (B16-F10) cell line |
| title_short | Biological and molecular studies of phytoconstituents from Hordeum vulgare L. leaves: potential treatment for prostate (DU-145) and skin cancer (B16-F10) cell line |
| title_sort | biological and molecular studies of phytoconstituents from hordeum vulgare l leaves potential treatment for prostate du 145 and skin cancer b16 f10 cell line |
| topic | Hordeum vulgare Cytotoxicity HPTLC GC–MS In silico modelling Molecular dynamic simulation |
| url | https://doi.org/10.1186/s43088-025-00623-z |
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