Phytochemical profile, antioxidant and antibacterial activities analysis of crude extract and essential oil of Pinus roxburghii and Pinus wallichiana: in vitro and in silico analyses

Pinus roxburghii and Pinus wallichiana are traditionally plants used for various medicinal purposes worldwide. The present study focused on evaluating the phytochemical compounds and the free radical scavenging potential in various parts of P. roxburghii and P. wallichiana through in vitro and in si...

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Main Authors: Saba Mehmood, Arshad Mehmood Abbasi, Hazrat Hussain, Sabaz Ali Khan, Hayfa Habes Almutairi, Ahmed Mahmoud Ismail, Mohamed S. Al Saikhan, Hossam S. El-Beltagi
Format: Article
Language:English
Published: Taylor & Francis Group 2024-12-01
Series:Cogent Food & Agriculture
Subjects:
Online Access:https://www.tandfonline.com/doi/10.1080/23311932.2024.2403648
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author Saba Mehmood
Arshad Mehmood Abbasi
Hazrat Hussain
Sabaz Ali Khan
Hayfa Habes Almutairi
Ahmed Mahmoud Ismail
Mohamed S. Al Saikhan
Hossam S. El-Beltagi
author_facet Saba Mehmood
Arshad Mehmood Abbasi
Hazrat Hussain
Sabaz Ali Khan
Hayfa Habes Almutairi
Ahmed Mahmoud Ismail
Mohamed S. Al Saikhan
Hossam S. El-Beltagi
author_sort Saba Mehmood
collection DOAJ
description Pinus roxburghii and Pinus wallichiana are traditionally plants used for various medicinal purposes worldwide. The present study focused on evaluating the phytochemical compounds and the free radical scavenging potential in various parts of P. roxburghii and P. wallichiana through in vitro and in silico study. Crude extract of the fresh leaves was obtained using methanol while steam distillation method was used for the extraction of the essential oil. The phytochemicals were determined by standard methods. Antioxidant Potential of the phytochemicals was performed using 2,2-diphenyl-1-picrylhydrazyl (DPPH), Hydroxyl radical (OH) inhibition, Ferric ion reducing power (FRAP) and Phosphomolybedenum complex (PMC) assays. The interactions between the total phenolics and flavonoids of the selected plants and virulent target proteins of the pathogenic bacteria were identified, characterized, and examined using Molecular Operating Environment (MOE) software. The fresh leaves of P. roxburghii, exhibited the highest total phenolic (744.6 ± 27.0 mg GAE/100 g) and carotenoid content (21.4 ± 0.4 mg/g) that was significantly varied from other samples. The EO of P. wallichiana, showed the highest total flavonoid content. In P. roxburghii and P. wallichiana, the fresh leaves exhibited the highest percentage of scavenging potential against the DPPH radical. Additionally, the EO from P. roxburghii and P. wallichiana have significant potential to reduce ferric ions, and molybdate ions, respectively) with significant differences. The molecular docking showed a significant interaction of compounds present in these pines leaves with Exotoxin A and Elastase B proteins. The essential oil (EO), hydrosol (HS), and crude extract derived from P. roxburghii and P. wallichiana could be exploited as natural sources of antioxidants, anti-inflammatory agents, and innovative medications against the human pathogen, Pseudomonas aeruginosa.
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spelling doaj-art-0fa72bd191b54177aa9e12d3fc26b0572025-08-20T01:58:52ZengTaylor & Francis GroupCogent Food & Agriculture2331-19322024-12-0110110.1080/23311932.2024.2403648Phytochemical profile, antioxidant and antibacterial activities analysis of crude extract and essential oil of Pinus roxburghii and Pinus wallichiana: in vitro and in silico analysesSaba Mehmood0Arshad Mehmood Abbasi1Hazrat Hussain2Sabaz Ali Khan3Hayfa Habes Almutairi4Ahmed Mahmoud Ismail5Mohamed S. Al Saikhan6Hossam S. El-Beltagi7Department of Biotechnology, COMSATS University Islamabad-Abbottabad Campus, Abbottabad, PakistanDepartment of Environmental Sciences, COMSATS University Islamabad-Abbottabad Campus, Abbottabad, PakistanDepartment of Biotechnology, COMSATS University Islamabad-Abbottabad Campus, Abbottabad, PakistanDepartment of Biotechnology, COMSATS University Islamabad-Abbottabad Campus, Abbottabad, PakistanDepartment of Chemistry, College of Science, King Faisal University, Al-Ahsa, Saudi ArabiaDepartment of Arid Land Agriculture, College of Agriculture and Food Sciences, King Faisal University, Al-Ahsa, Saudi ArabiaDepartment of Arid Land Agriculture, College of Agriculture and Food Sciences, King Faisal University, Al-Ahsa, Saudi ArabiaAgricultural Biotechnology Department, College of Agriculture and Food Sciences, King Faisal University, Al-Ahsa, Saudi ArabiaPinus roxburghii and Pinus wallichiana are traditionally plants used for various medicinal purposes worldwide. The present study focused on evaluating the phytochemical compounds and the free radical scavenging potential in various parts of P. roxburghii and P. wallichiana through in vitro and in silico study. Crude extract of the fresh leaves was obtained using methanol while steam distillation method was used for the extraction of the essential oil. The phytochemicals were determined by standard methods. Antioxidant Potential of the phytochemicals was performed using 2,2-diphenyl-1-picrylhydrazyl (DPPH), Hydroxyl radical (OH) inhibition, Ferric ion reducing power (FRAP) and Phosphomolybedenum complex (PMC) assays. The interactions between the total phenolics and flavonoids of the selected plants and virulent target proteins of the pathogenic bacteria were identified, characterized, and examined using Molecular Operating Environment (MOE) software. The fresh leaves of P. roxburghii, exhibited the highest total phenolic (744.6 ± 27.0 mg GAE/100 g) and carotenoid content (21.4 ± 0.4 mg/g) that was significantly varied from other samples. The EO of P. wallichiana, showed the highest total flavonoid content. In P. roxburghii and P. wallichiana, the fresh leaves exhibited the highest percentage of scavenging potential against the DPPH radical. Additionally, the EO from P. roxburghii and P. wallichiana have significant potential to reduce ferric ions, and molybdate ions, respectively) with significant differences. The molecular docking showed a significant interaction of compounds present in these pines leaves with Exotoxin A and Elastase B proteins. The essential oil (EO), hydrosol (HS), and crude extract derived from P. roxburghii and P. wallichiana could be exploited as natural sources of antioxidants, anti-inflammatory agents, and innovative medications against the human pathogen, Pseudomonas aeruginosa.https://www.tandfonline.com/doi/10.1080/23311932.2024.2403648Antioxidant assaysessential oilflavonoidsmedicinal plantspineP. roxburghii
spellingShingle Saba Mehmood
Arshad Mehmood Abbasi
Hazrat Hussain
Sabaz Ali Khan
Hayfa Habes Almutairi
Ahmed Mahmoud Ismail
Mohamed S. Al Saikhan
Hossam S. El-Beltagi
Phytochemical profile, antioxidant and antibacterial activities analysis of crude extract and essential oil of Pinus roxburghii and Pinus wallichiana: in vitro and in silico analyses
Cogent Food & Agriculture
Antioxidant assays
essential oil
flavonoids
medicinal plants
pine
P. roxburghii
title Phytochemical profile, antioxidant and antibacterial activities analysis of crude extract and essential oil of Pinus roxburghii and Pinus wallichiana: in vitro and in silico analyses
title_full Phytochemical profile, antioxidant and antibacterial activities analysis of crude extract and essential oil of Pinus roxburghii and Pinus wallichiana: in vitro and in silico analyses
title_fullStr Phytochemical profile, antioxidant and antibacterial activities analysis of crude extract and essential oil of Pinus roxburghii and Pinus wallichiana: in vitro and in silico analyses
title_full_unstemmed Phytochemical profile, antioxidant and antibacterial activities analysis of crude extract and essential oil of Pinus roxburghii and Pinus wallichiana: in vitro and in silico analyses
title_short Phytochemical profile, antioxidant and antibacterial activities analysis of crude extract and essential oil of Pinus roxburghii and Pinus wallichiana: in vitro and in silico analyses
title_sort phytochemical profile antioxidant and antibacterial activities analysis of crude extract and essential oil of pinus roxburghii and pinus wallichiana in vitro and in silico analyses
topic Antioxidant assays
essential oil
flavonoids
medicinal plants
pine
P. roxburghii
url https://www.tandfonline.com/doi/10.1080/23311932.2024.2403648
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