Multifaced Assessment of Antioxidant Power, Phytochemical Metabolomics, In-Vitro Biological Potential and In-Silico Studies of <i>Neurada procumbens</i> L.: An Important Medicinal Plant
This work was undertaken to explore the phytochemical composition, antioxidant, and enzyme-inhibiting properties of <i>Neurada procumbens</i> L. extracts/fractions of varying polarity (methanol extract and its fractions including <i>n</i>-hexane, chloroform, <i>n</i&...
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MDPI AG
2022-09-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/27/18/5849 |
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| author | Umair Khurshid Saeed Ahmad Hammad Saleem Arslan Hussain LodhI Irfan Pervaiz Mohsin Abbas Khan Haroon Khan Abdulwahab AlamrI Mukhtar AnsarI Marcello LocatellI Muhammad Adeel Arshad Muhammad Asif Wazir Juwairiya Butt Sirajudheen Anwar |
| author_facet | Umair Khurshid Saeed Ahmad Hammad Saleem Arslan Hussain LodhI Irfan Pervaiz Mohsin Abbas Khan Haroon Khan Abdulwahab AlamrI Mukhtar AnsarI Marcello LocatellI Muhammad Adeel Arshad Muhammad Asif Wazir Juwairiya Butt Sirajudheen Anwar |
| author_sort | Umair Khurshid |
| collection | DOAJ |
| description | This work was undertaken to explore the phytochemical composition, antioxidant, and enzyme-inhibiting properties of <i>Neurada procumbens</i> L. extracts/fractions of varying polarity (methanol extract and its fractions including <i>n</i>-hexane, chloroform, <i>n</i>-butanol, and aqueous fractions). A preliminary phytochemical study of all extracts/fractions, HPLC-PDA polyphenolic quantification, and GC-MS analysis of the <i>n</i>-hexane fraction were used to identify the phytochemical makeup. Antioxidant (DPPH), enzyme inhibition (against xanthine oxidase, carbonic anhydrase, and urease enzymes), and antibacterial activities against seven bacterial strains were performed for biological investigation. The GC-MS analysis revealed the tentative identification of 22 distinct phytochemicals in the <i>n</i>-hexane fraction, the majority of which belonged to the phenol, flavonoid, sesquiterpenoid, terpene, fatty acid, sterol, and triterpenoid classes of secondary metabolites. HPLC-PDA analysis quantified syringic acid, 3-OH benzoic acid, <i>t</i>-ferullic acid, naringin, and epicatechin in a significant amount. All of the studied extracts/fractions displayed significant antioxidant capability, with methanol extract exhibiting the highest radical-scavenging activity, as measured by an inhibitory percentage of 81.4 ± 0.7 and an IC<sub>50</sub> value of 1.3 ± 0.3. For enzyme inhibition experiments, the <i>n</i>-hexane fraction was shown to be highly potent against xanthine oxidase and urease enzymes, with respective IC<sub>50</sub> values of 2.3 ± 0.5 and 1.1 ± 0.4 mg/mL. Similarly, the methanol extract demonstrated the strongest activity against the carbonic anhydrase enzyme, with an IC<sub>50</sub> value of 2.2 ± 0.4 mg/mL. Moreover, all the studied extracts/fractions presented moderate antibacterial potential against seven bacterial strains. Molecular docking of the five molecules β-amyrin, campesterol, ergosta-4,6,22-trien-3β-ol, stigmasterol, and caryophyllene revealed the interaction of these ligands with the investigated enzyme (xanthine oxidase). The results of the present study suggested that the <i>N. procumbens</i> plant may be evaluated as a possible source of bioactive compounds with multifunctional therapeutic applications. |
| first_indexed | 2024-03-09T23:01:56Z |
| format | Article |
| id | doaj.art-57f73e67ef494345a658867afc3b91a5 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-09T23:01:56Z |
| publishDate | 2022-09-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-57f73e67ef494345a658867afc3b91a52023-11-23T17:59:56ZengMDPI AGMolecules1420-30492022-09-012718584910.3390/molecules27185849Multifaced Assessment of Antioxidant Power, Phytochemical Metabolomics, In-Vitro Biological Potential and In-Silico Studies of <i>Neurada procumbens</i> L.: An Important Medicinal PlantUmair Khurshid0Saeed Ahmad1Hammad Saleem2Arslan Hussain LodhI3Irfan Pervaiz4Mohsin Abbas Khan5Haroon Khan6Abdulwahab AlamrI7Mukhtar AnsarI8Marcello LocatellI9Muhammad Adeel Arshad10Muhammad Asif Wazir11Juwairiya Butt12Sirajudheen Anwar13Department 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, PakistanInstitute of Pharmaceutical Sciences (IPS), University of Veterinary & Animal Sciences (UVAS), Lahore 54000, PakistanDepartment of Pharmacology, Faculty of Pharmacy, The Islamia University of Bahawalpur, Bahawalpur 63100, PakistanDepartment of Pharmacy, University of Chenab, Gujrat 50700, PakistanDepartment of Pharmaceutical Chemistry, Faculty of Pharmacy, The Islamia University of Bahawalpur, Bahawalpur 63100, PakistanGomal Centre of Pharmaceutical Sciences Faculty of Pharmacy, Gomal University, Dera Ismail Khan 29050, PakistanDepartment of Pharmacology and Toxicology, College of Pharmacy, University of Hail, Hail 81451, Saudi ArabiaDepartment of Clinical Pharmacy, College of Pharmacy, University of Hail, Hail 81451, Saudi ArabiaDepartment of Pharmacy, University ‘G. d’Annunzio” of Chieti-Pescara, 66100 Chieti, ItalyInstitute of Pharmacy, Faculty of Pharmaceutical and Allied Health sciences, Lahore College for Women University, Lahore 54000, PakistanDepartment of Pharmacognosy, Faculty of Pharmacy, The Islamia University of Bahawalpur, Bahawalpur 63100, PakistanSchool of Life Sciences, University of Westminster, 115 New Cavendish Street, London W1W 6UW, UKDepartment of Pharmacology and Toxicology, College of Pharmacy, University of Hail, Hail 81451, Saudi ArabiaThis work was undertaken to explore the phytochemical composition, antioxidant, and enzyme-inhibiting properties of <i>Neurada procumbens</i> L. extracts/fractions of varying polarity (methanol extract and its fractions including <i>n</i>-hexane, chloroform, <i>n</i>-butanol, and aqueous fractions). A preliminary phytochemical study of all extracts/fractions, HPLC-PDA polyphenolic quantification, and GC-MS analysis of the <i>n</i>-hexane fraction were used to identify the phytochemical makeup. Antioxidant (DPPH), enzyme inhibition (against xanthine oxidase, carbonic anhydrase, and urease enzymes), and antibacterial activities against seven bacterial strains were performed for biological investigation. The GC-MS analysis revealed the tentative identification of 22 distinct phytochemicals in the <i>n</i>-hexane fraction, the majority of which belonged to the phenol, flavonoid, sesquiterpenoid, terpene, fatty acid, sterol, and triterpenoid classes of secondary metabolites. HPLC-PDA analysis quantified syringic acid, 3-OH benzoic acid, <i>t</i>-ferullic acid, naringin, and epicatechin in a significant amount. All of the studied extracts/fractions displayed significant antioxidant capability, with methanol extract exhibiting the highest radical-scavenging activity, as measured by an inhibitory percentage of 81.4 ± 0.7 and an IC<sub>50</sub> value of 1.3 ± 0.3. For enzyme inhibition experiments, the <i>n</i>-hexane fraction was shown to be highly potent against xanthine oxidase and urease enzymes, with respective IC<sub>50</sub> values of 2.3 ± 0.5 and 1.1 ± 0.4 mg/mL. Similarly, the methanol extract demonstrated the strongest activity against the carbonic anhydrase enzyme, with an IC<sub>50</sub> value of 2.2 ± 0.4 mg/mL. Moreover, all the studied extracts/fractions presented moderate antibacterial potential against seven bacterial strains. Molecular docking of the five molecules β-amyrin, campesterol, ergosta-4,6,22-trien-3β-ol, stigmasterol, and caryophyllene revealed the interaction of these ligands with the investigated enzyme (xanthine oxidase). The results of the present study suggested that the <i>N. procumbens</i> plant may be evaluated as a possible source of bioactive compounds with multifunctional therapeutic applications.https://www.mdpi.com/1420-3049/27/18/5849<i>Neurada procumbens</i>HPLC-PDAGC-MSsecondary metabolitesantioxidantenzyme inhibition |
| spellingShingle | Umair Khurshid Saeed Ahmad Hammad Saleem Arslan Hussain LodhI Irfan Pervaiz Mohsin Abbas Khan Haroon Khan Abdulwahab AlamrI Mukhtar AnsarI Marcello LocatellI Muhammad Adeel Arshad Muhammad Asif Wazir Juwairiya Butt Sirajudheen Anwar Multifaced Assessment of Antioxidant Power, Phytochemical Metabolomics, In-Vitro Biological Potential and In-Silico Studies of <i>Neurada procumbens</i> L.: An Important Medicinal Plant Molecules <i>Neurada procumbens</i> HPLC-PDA GC-MS secondary metabolites antioxidant enzyme inhibition |
| title | Multifaced Assessment of Antioxidant Power, Phytochemical Metabolomics, In-Vitro Biological Potential and In-Silico Studies of <i>Neurada procumbens</i> L.: An Important Medicinal Plant |
| title_full | Multifaced Assessment of Antioxidant Power, Phytochemical Metabolomics, In-Vitro Biological Potential and In-Silico Studies of <i>Neurada procumbens</i> L.: An Important Medicinal Plant |
| title_fullStr | Multifaced Assessment of Antioxidant Power, Phytochemical Metabolomics, In-Vitro Biological Potential and In-Silico Studies of <i>Neurada procumbens</i> L.: An Important Medicinal Plant |
| title_full_unstemmed | Multifaced Assessment of Antioxidant Power, Phytochemical Metabolomics, In-Vitro Biological Potential and In-Silico Studies of <i>Neurada procumbens</i> L.: An Important Medicinal Plant |
| title_short | Multifaced Assessment of Antioxidant Power, Phytochemical Metabolomics, In-Vitro Biological Potential and In-Silico Studies of <i>Neurada procumbens</i> L.: An Important Medicinal Plant |
| title_sort | multifaced assessment of antioxidant power phytochemical metabolomics in vitro biological potential and in silico studies of i neurada procumbens i l an important medicinal plant |
| topic | <i>Neurada procumbens</i> HPLC-PDA GC-MS secondary metabolites antioxidant enzyme inhibition |
| url | https://www.mdpi.com/1420-3049/27/18/5849 |
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