Phytochemical Profiling of the Ethanolic Extract of <i>Zaleya pentandra</i> L. Jaffery and Its Biological Activities by In-Vitro Assays and In-Silico Molecular Docking
<i>Zaleya pentandra</i> L. jaffery is the only species of the genus <i>Zaleya</i> that grows in the Cholistan desert, Pakistan. It is a Xero-halophyte plant with high phenolic and flavonoid content. The present research was designed to investigate the phytochemical compositio...
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MDPI AG
2022-12-01
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| Series: | Applied Sciences |
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| Online Access: | https://www.mdpi.com/2076-3417/13/1/584 |
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| author | Afia Shahid Kashif ur Rehman Khan Huma Rao Hanan Y. Aati Asmaa E. Sherif Duraiz Ahmed Khan Abdul Basit Muhammad Umair Abdul Mueed Tuba Esatbeyoglu Sameh A. Korma |
| author_facet | Afia Shahid Kashif ur Rehman Khan Huma Rao Hanan Y. Aati Asmaa E. Sherif Duraiz Ahmed Khan Abdul Basit Muhammad Umair Abdul Mueed Tuba Esatbeyoglu Sameh A. Korma |
| author_sort | Afia Shahid |
| collection | DOAJ |
| description | <i>Zaleya pentandra</i> L. jaffery is the only species of the genus <i>Zaleya</i> that grows in the Cholistan desert, Pakistan. It is a Xero-halophyte plant with high phenolic and flavonoid content. The present research was designed to investigate the phytochemical composition, biological activities, and in silico molecular docking of the ethanolic extract of <i>Z. pentandra</i>. The phytochemical evaluation was done through preliminary phytochemical testing, estimation of total bioactive content, and gas chromatography–mass spectrometry (GC–MS) analysis for the identification of volatile compounds. For the evaluation of biological activities, antioxidants, and enzyme inhibition (α-glucosidase, cholinesterase, and tyrosinase), antibacterial and antiviral assays were performed. GC–MS analysis revealed the presence of 29 tentative volatile compounds. The ethanolic extract of <i>Z. pentandra</i> contains high phenolic content (119.6 ± 0.12 mg GAE/g extract) and flavonoid content (45.5 ± 0.19 mg QE/g extract), which correlates with the strong DPPH, FRAP, and enzyme inhibition results. The ethanolic extract of <i>Z. pentandra</i> also showed dose-dependent antibacterial activity. <i>Micrococcus luteus</i> and <i>Pseudomonas aeruginosa</i> were found to be most susceptible, with 16 mm and 17 mm zone of inhibitions at a maximum dose of 20 mg/mL. Antiviral results showed that the ethanol extract has excellent activity against H9, IBV, and NDV viral strains. Additionally, in silico molecular docking was performed in order to determine the interaction and binding affinity between the enzymes and compounds identified by GC–MS. α-glucosidase, cholinesterase, and tyrosinase showed the highest binding affinity toward 1,2-benzenedicarboxylic acid, 2-hydroxy-n-(2-phenylethyl) benzamide, γ-sitosterol, and lactose. These findings can serve as a benchmark for anti-diabetic-, neuro-, and skin-protective uses of this plant and can be used for the isolation of pure bioactive compounds in the future. |
| first_indexed | 2024-03-11T10:06:38Z |
| format | Article |
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| institution | Directory Open Access Journal |
| issn | 2076-3417 |
| language | English |
| last_indexed | 2024-03-11T10:06:38Z |
| publishDate | 2022-12-01 |
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| series | Applied Sciences |
| spelling | doaj.art-2cf1d5942d0949a3a6ff26f551bd53c72023-11-16T14:59:03ZengMDPI AGApplied Sciences2076-34172022-12-0113158410.3390/app13010584Phytochemical Profiling of the Ethanolic Extract of <i>Zaleya pentandra</i> L. Jaffery and Its Biological Activities by In-Vitro Assays and In-Silico Molecular DockingAfia Shahid0Kashif ur Rehman Khan1Huma Rao2Hanan Y. Aati3Asmaa E. Sherif4Duraiz Ahmed Khan5Abdul Basit6Muhammad Umair7Abdul Mueed8Tuba Esatbeyoglu9Sameh A. Korma10Department of Pharmaceutical Chemistry, Faculty of Pharmacy, The Islamia University of Bahawalpur, Bahawalpur 63100, PakistanDepartment of Pharmaceutical Chemistry, Faculty of Pharmacy, The Islamia University of Bahawalpur, Bahawalpur 63100, PakistanDepartment of Pharmaceutical Chemistry, Faculty of Pharmacy, The Islamia University of Bahawalpur, Bahawalpur 63100, PakistanDepartment of Pharmacognosy, College of Pharmacy, King Saud University, Riyadh 11495, Saudi ArabiaDepartment of Pharmacognosy, College of Pharmacy, Prince Sattam bin Abdul Aziz University, Alkharj 11942, Saudi ArabiaDepartment of Pharmaceutical Chemistry, Faculty of Pharmacy, The Islamia University of Bahawalpur, Bahawalpur 63100, PakistanDepartment of Pharmaceutical Chemistry, Faculty of Pharmacy, The Islamia University of Bahawalpur, Bahawalpur 63100, PakistanCollege of Pharmacy, Shenzhen Technology University, Shenzhen 518060, ChinaState Key Laboratory of Food Science and Technology, Nanchang University, Nanchang 330047, ChinaDepartment of Food Development and Food Quality, Institute of Food Science and Human Nutrition, Gottfried Wilhelm Leibniz University Hannover, Am Kleinen Felde 30, 30167 Hannover, GermanyDepartment of Food Science, Faculty of Agriculture, Zagazig University, Zagazig 44519, Egypt<i>Zaleya pentandra</i> L. jaffery is the only species of the genus <i>Zaleya</i> that grows in the Cholistan desert, Pakistan. It is a Xero-halophyte plant with high phenolic and flavonoid content. The present research was designed to investigate the phytochemical composition, biological activities, and in silico molecular docking of the ethanolic extract of <i>Z. pentandra</i>. The phytochemical evaluation was done through preliminary phytochemical testing, estimation of total bioactive content, and gas chromatography–mass spectrometry (GC–MS) analysis for the identification of volatile compounds. For the evaluation of biological activities, antioxidants, and enzyme inhibition (α-glucosidase, cholinesterase, and tyrosinase), antibacterial and antiviral assays were performed. GC–MS analysis revealed the presence of 29 tentative volatile compounds. The ethanolic extract of <i>Z. pentandra</i> contains high phenolic content (119.6 ± 0.12 mg GAE/g extract) and flavonoid content (45.5 ± 0.19 mg QE/g extract), which correlates with the strong DPPH, FRAP, and enzyme inhibition results. The ethanolic extract of <i>Z. pentandra</i> also showed dose-dependent antibacterial activity. <i>Micrococcus luteus</i> and <i>Pseudomonas aeruginosa</i> were found to be most susceptible, with 16 mm and 17 mm zone of inhibitions at a maximum dose of 20 mg/mL. Antiviral results showed that the ethanol extract has excellent activity against H9, IBV, and NDV viral strains. Additionally, in silico molecular docking was performed in order to determine the interaction and binding affinity between the enzymes and compounds identified by GC–MS. α-glucosidase, cholinesterase, and tyrosinase showed the highest binding affinity toward 1,2-benzenedicarboxylic acid, 2-hydroxy-n-(2-phenylethyl) benzamide, γ-sitosterol, and lactose. These findings can serve as a benchmark for anti-diabetic-, neuro-, and skin-protective uses of this plant and can be used for the isolation of pure bioactive compounds in the future.https://www.mdpi.com/2076-3417/13/1/584biological activitycomputational chemistryGC–MSphytochemical screeningskin disorder<i>Zaleya pentandra</i> |
| spellingShingle | Afia Shahid Kashif ur Rehman Khan Huma Rao Hanan Y. Aati Asmaa E. Sherif Duraiz Ahmed Khan Abdul Basit Muhammad Umair Abdul Mueed Tuba Esatbeyoglu Sameh A. Korma Phytochemical Profiling of the Ethanolic Extract of <i>Zaleya pentandra</i> L. Jaffery and Its Biological Activities by In-Vitro Assays and In-Silico Molecular Docking Applied Sciences biological activity computational chemistry GC–MS phytochemical screening skin disorder <i>Zaleya pentandra</i> |
| title | Phytochemical Profiling of the Ethanolic Extract of <i>Zaleya pentandra</i> L. Jaffery and Its Biological Activities by In-Vitro Assays and In-Silico Molecular Docking |
| title_full | Phytochemical Profiling of the Ethanolic Extract of <i>Zaleya pentandra</i> L. Jaffery and Its Biological Activities by In-Vitro Assays and In-Silico Molecular Docking |
| title_fullStr | Phytochemical Profiling of the Ethanolic Extract of <i>Zaleya pentandra</i> L. Jaffery and Its Biological Activities by In-Vitro Assays and In-Silico Molecular Docking |
| title_full_unstemmed | Phytochemical Profiling of the Ethanolic Extract of <i>Zaleya pentandra</i> L. Jaffery and Its Biological Activities by In-Vitro Assays and In-Silico Molecular Docking |
| title_short | Phytochemical Profiling of the Ethanolic Extract of <i>Zaleya pentandra</i> L. Jaffery and Its Biological Activities by In-Vitro Assays and In-Silico Molecular Docking |
| title_sort | phytochemical profiling of the ethanolic extract of i zaleya pentandra i l jaffery and its biological activities by in vitro assays and in silico molecular docking |
| topic | biological activity computational chemistry GC–MS phytochemical screening skin disorder <i>Zaleya pentandra</i> |
| url | https://www.mdpi.com/2076-3417/13/1/584 |
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