Characterization of total phenolic and flavonoid content in Pseudoconyza viscosa (Mill.) and its in-silico antioxidant evaluation
IntroductionThe Pseudoconyza viscosa (Mill.) is an important medicinal plant found in tropical and warm areas, and is known for its application in the food, cosmetic, and pharmaceutical industries. However, no information is available regarding its chemical composition, total phenolics and antioxida...
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Frontiers Media S.A.
2025-07-01
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| Series: | Frontiers in Plant Science |
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| Online Access: | https://www.frontiersin.org/articles/10.3389/fpls.2025.1527515/full |
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| author | Ayesha Zahid Abrar Hussain Asim Mehmood Muhammad Adnan Iqbal Muhammad Akram Javaid Iqbal Mahmoud F. Seleiman Nawab Ali Adel M. Al-Saif |
| author_facet | Ayesha Zahid Abrar Hussain Asim Mehmood Muhammad Adnan Iqbal Muhammad Akram Javaid Iqbal Mahmoud F. Seleiman Nawab Ali Adel M. Al-Saif |
| author_sort | Ayesha Zahid |
| collection | DOAJ |
| description | IntroductionThe Pseudoconyza viscosa (Mill.) is an important medicinal plant found in tropical and warm areas, and is known for its application in the food, cosmetic, and pharmaceutical industries. However, no information is available regarding its chemical composition, total phenolics and antioxidant potential. Thus, the present study aimed to investigate the total phenolic and flavonoid contents and their antioxidant potential through insilico studies.MethodsThe ethanolic extracts were characterized by high-pressure liquid chromatography (HPLC) and UV-visible spectroscopy. Seventeen peaks were detected based on UV- spectroscopy. Furthermore, molecular docking of major phenolic compounds was carried out using Autodock Vina Software against human peroxiredoxin 5 (PDB ID: 1HD2) to study its antioxidant potential. Further, ADME predictions were made to determine physiochemical characteristics of the lead compound.ResultsThe total phenolic and flavonoid contents of Pseudoconyza viscosa (Mill.) ethanolic extracts were 311.74 and 208.2 mg/g respectively. Molecular docking results showed that dicaffeoylquinic acid (docking score -7.8) has significant binding potential against human peroxiredoxin 5 (PDB ID: 1HD2). ADME and drug likeness parameters have also shown that dicaffeoylquinic acid can be used as a potential antioxidant candidate compared to synthetic antioxidant drugs with side effects.DiscussionThe results of this study underscore the therapeutic potential of Pseudoconyza viscosa (Mill.), warranting further investigation into its bioactive compounds for potential applications in pharmaceuticals and nutraceuticals. Future research should focus on exploring the mechanisms and efficacy of these compounds in clinical settings, paving the way for the development of novel therapeutic agents derived from this medicinal plant. |
| format | Article |
| id | doaj-art-a1bb8aacca844b2d8a200d7ebc05610d |
| institution | DOAJ |
| issn | 1664-462X |
| language | English |
| publishDate | 2025-07-01 |
| publisher | Frontiers Media S.A. |
| record_format | Article |
| series | Frontiers in Plant Science |
| spelling | doaj-art-a1bb8aacca844b2d8a200d7ebc05610d2025-08-20T02:50:04ZengFrontiers Media S.A.Frontiers in Plant Science1664-462X2025-07-011610.3389/fpls.2025.15275151527515Characterization of total phenolic and flavonoid content in Pseudoconyza viscosa (Mill.) and its in-silico antioxidant evaluationAyesha Zahid0Abrar Hussain1Asim Mehmood2Muhammad Adnan Iqbal3Muhammad Akram4Javaid Iqbal5Mahmoud F. Seleiman6Nawab Ali7Adel M. Al-Saif8Department of Chemistry, University of Agriculture Faisalabad, Faisalabad, PakistanDepartment of Biosciences, COMSATS University Islamabad, Sahiwal, PakistanDepartment of Biosciences, COMSATS University Islamabad, Sahiwal, PakistanDepartment of Chemistry, University of Agriculture Faisalabad, Faisalabad, PakistanDepartment of Environmental Sciences, COMSATS University Islamabad, Vehari, PakistanDepartment of Plant Protection, College of Food and Agriculture Sciences, King Saud University, Riyadh, Saudi ArabiaDepartment of Plant Production, College of Food and Agriculture Sciences, King Saud University, Riyadh, Saudi ArabiaDepartment of Biosystems and Agricultural Engineering (BAE), College of Agriculture and Natural Resources, Michigan State University, East Lansing, MI, United StatesDepartment of Plant Production, College of Food and Agriculture Sciences, King Saud University, Riyadh, Saudi ArabiaIntroductionThe Pseudoconyza viscosa (Mill.) is an important medicinal plant found in tropical and warm areas, and is known for its application in the food, cosmetic, and pharmaceutical industries. However, no information is available regarding its chemical composition, total phenolics and antioxidant potential. Thus, the present study aimed to investigate the total phenolic and flavonoid contents and their antioxidant potential through insilico studies.MethodsThe ethanolic extracts were characterized by high-pressure liquid chromatography (HPLC) and UV-visible spectroscopy. Seventeen peaks were detected based on UV- spectroscopy. Furthermore, molecular docking of major phenolic compounds was carried out using Autodock Vina Software against human peroxiredoxin 5 (PDB ID: 1HD2) to study its antioxidant potential. Further, ADME predictions were made to determine physiochemical characteristics of the lead compound.ResultsThe total phenolic and flavonoid contents of Pseudoconyza viscosa (Mill.) ethanolic extracts were 311.74 and 208.2 mg/g respectively. Molecular docking results showed that dicaffeoylquinic acid (docking score -7.8) has significant binding potential against human peroxiredoxin 5 (PDB ID: 1HD2). ADME and drug likeness parameters have also shown that dicaffeoylquinic acid can be used as a potential antioxidant candidate compared to synthetic antioxidant drugs with side effects.DiscussionThe results of this study underscore the therapeutic potential of Pseudoconyza viscosa (Mill.), warranting further investigation into its bioactive compounds for potential applications in pharmaceuticals and nutraceuticals. Future research should focus on exploring the mechanisms and efficacy of these compounds in clinical settings, paving the way for the development of novel therapeutic agents derived from this medicinal plant.https://www.frontiersin.org/articles/10.3389/fpls.2025.1527515/fullantioxidant potentialHPLC and UV-spectroscopymolecular dockingtotal phenolic and total flavonoid contentPseudoconyza viscosa |
| spellingShingle | Ayesha Zahid Abrar Hussain Asim Mehmood Muhammad Adnan Iqbal Muhammad Akram Javaid Iqbal Mahmoud F. Seleiman Nawab Ali Adel M. Al-Saif Characterization of total phenolic and flavonoid content in Pseudoconyza viscosa (Mill.) and its in-silico antioxidant evaluation Frontiers in Plant Science antioxidant potential HPLC and UV-spectroscopy molecular docking total phenolic and total flavonoid content Pseudoconyza viscosa |
| title | Characterization of total phenolic and flavonoid content in Pseudoconyza viscosa (Mill.) and its in-silico antioxidant evaluation |
| title_full | Characterization of total phenolic and flavonoid content in Pseudoconyza viscosa (Mill.) and its in-silico antioxidant evaluation |
| title_fullStr | Characterization of total phenolic and flavonoid content in Pseudoconyza viscosa (Mill.) and its in-silico antioxidant evaluation |
| title_full_unstemmed | Characterization of total phenolic and flavonoid content in Pseudoconyza viscosa (Mill.) and its in-silico antioxidant evaluation |
| title_short | Characterization of total phenolic and flavonoid content in Pseudoconyza viscosa (Mill.) and its in-silico antioxidant evaluation |
| title_sort | characterization of total phenolic and flavonoid content in pseudoconyza viscosa mill and its in silico antioxidant evaluation |
| topic | antioxidant potential HPLC and UV-spectroscopy molecular docking total phenolic and total flavonoid content Pseudoconyza viscosa |
| url | https://www.frontiersin.org/articles/10.3389/fpls.2025.1527515/full |
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