Secondary Metabolite Profiling, Antioxidant, Antidiabetic and Neuroprotective Activity of <i>Cestrum nocturnum</i> (Night Scented-Jasmine): Use of In Vitro and In Silico Approach in Determining the Potential Bioactive Compound
This study aims to describe the therapeutic potential of <i>C. nocturnum</i> leaf extracts against diabetes and neurological disorders via the targeting of α-amylase and acetylcholinesterase (AChE) activities, followed by computational molecular docking studies to establish a strong rati...
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| Format: | Article |
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MDPI AG
2023-03-01
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| Online Access: | https://www.mdpi.com/2223-7747/12/6/1206 |
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| author | Saheem Ahmad Mohammed Alrouji Sharif Alhajlah Othman Alomeir Ramendra Pati Pandey Mohammad Saquib Ashraf Shafeeque Ahmad Saif Khan |
| author_facet | Saheem Ahmad Mohammed Alrouji Sharif Alhajlah Othman Alomeir Ramendra Pati Pandey Mohammad Saquib Ashraf Shafeeque Ahmad Saif Khan |
| author_sort | Saheem Ahmad |
| collection | DOAJ |
| description | This study aims to describe the therapeutic potential of <i>C. nocturnum</i> leaf extracts against diabetes and neurological disorders via the targeting of α-amylase and acetylcholinesterase (AChE) activities, followed by computational molecular docking studies to establish a strong rationale behind the α-amylase and AChE inhibitory potential of <i>C. nocturnum</i> leaves-derived secondary metabolites. In our study, the antioxidant activity of the sequentially extracted <i>C. nocturnum</i> leaves extract was also investigated, in which the methanolic fraction exhibited the strongest antioxidant potential against DPPH (IC<sub>50</sub> 39.12 ± 0.53 µg/mL) and ABTS (IC<sub>50</sub> 20.94 ± 0.82 µg/mL) radicals. This extract strongly inhibited the α-amylase (IC<sub>50</sub>188.77 ± 1.67 µg/mL) and AChE (IC<sub>50</sub> 239.44 ± 0.93 µg/mL) in a non-competitive and competitive manner, respectively. Furthermore, in silico analysis of compounds identified in the methanolic extract of the leaves of <i>C. nocturnum</i> using GC-MS revealed high-affinity binding of these compounds with the catalytic sites of α-amylase and AChE, with binding energy ranging from −3.10 to −6.23 kcal/mol and from −3.32 to −8.76 kcal/mol, respectively. Conclusively, the antioxidant, antidiabetic, and anti-Alzheimer activity of this extract might be driven by the synergistic effect of these bioactive phytoconstituents. |
| first_indexed | 2024-03-11T06:01:22Z |
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| issn | 2223-7747 |
| language | English |
| last_indexed | 2024-03-11T06:01:22Z |
| publishDate | 2023-03-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Plants |
| spelling | doaj.art-8b92dc95ff5547539a058ca00bc492ea2023-11-17T13:20:36ZengMDPI AGPlants2223-77472023-03-01126120610.3390/plants12061206Secondary Metabolite Profiling, Antioxidant, Antidiabetic and Neuroprotective Activity of <i>Cestrum nocturnum</i> (Night Scented-Jasmine): Use of In Vitro and In Silico Approach in Determining the Potential Bioactive CompoundSaheem Ahmad0Mohammed Alrouji1Sharif Alhajlah2Othman Alomeir3Ramendra Pati Pandey4Mohammad Saquib Ashraf5Shafeeque Ahmad6Saif Khan7Department of Medical Laboratory Sciences, College of Applied Medical Sciences, University of Hail, Hail 2440, Saudi ArabiaDepartment of Clinical Laboratory Sciences, College of Applied Medical Sciences, Shaqra University, Shaqra 11961, Saudi ArabiaDepartment of Clinical Laboratory Sciences, College of Applied Medical Sciences, Shaqra University, Shaqra 11961, Saudi ArabiaDepartment of Pharmacy Practice, College of Pharmacy, Shaqra University, Shaqra 11961, Saudi ArabiaDepartment of Biotechnology, SRM University Delhi-NCR, Sonepat 131 029, IndiaDepartment of Clinical Laboratory Sciences, College of Applied Medical Sciences, Riyadh ELM University, Riyadh 12734, Saudi ArabiaDepartment of Biochemistry, Noida International Institute of Medical Sciences, Noida International University, Gautam Budh Nagar 203 201, IndiaDepartment of Basic Dental and Medical Sciences, College of Dentistry, University of Hail, Hail 2440, Saudi ArabiaThis study aims to describe the therapeutic potential of <i>C. nocturnum</i> leaf extracts against diabetes and neurological disorders via the targeting of α-amylase and acetylcholinesterase (AChE) activities, followed by computational molecular docking studies to establish a strong rationale behind the α-amylase and AChE inhibitory potential of <i>C. nocturnum</i> leaves-derived secondary metabolites. In our study, the antioxidant activity of the sequentially extracted <i>C. nocturnum</i> leaves extract was also investigated, in which the methanolic fraction exhibited the strongest antioxidant potential against DPPH (IC<sub>50</sub> 39.12 ± 0.53 µg/mL) and ABTS (IC<sub>50</sub> 20.94 ± 0.82 µg/mL) radicals. This extract strongly inhibited the α-amylase (IC<sub>50</sub>188.77 ± 1.67 µg/mL) and AChE (IC<sub>50</sub> 239.44 ± 0.93 µg/mL) in a non-competitive and competitive manner, respectively. Furthermore, in silico analysis of compounds identified in the methanolic extract of the leaves of <i>C. nocturnum</i> using GC-MS revealed high-affinity binding of these compounds with the catalytic sites of α-amylase and AChE, with binding energy ranging from −3.10 to −6.23 kcal/mol and from −3.32 to −8.76 kcal/mol, respectively. Conclusively, the antioxidant, antidiabetic, and anti-Alzheimer activity of this extract might be driven by the synergistic effect of these bioactive phytoconstituents.https://www.mdpi.com/2223-7747/12/6/1206diabetesα-amylaseacetylcholinesteraseAlzheimersecondary metabolitesnight blooming jasmine |
| spellingShingle | Saheem Ahmad Mohammed Alrouji Sharif Alhajlah Othman Alomeir Ramendra Pati Pandey Mohammad Saquib Ashraf Shafeeque Ahmad Saif Khan Secondary Metabolite Profiling, Antioxidant, Antidiabetic and Neuroprotective Activity of <i>Cestrum nocturnum</i> (Night Scented-Jasmine): Use of In Vitro and In Silico Approach in Determining the Potential Bioactive Compound Plants diabetes α-amylase acetylcholinesterase Alzheimer secondary metabolites night blooming jasmine |
| title | Secondary Metabolite Profiling, Antioxidant, Antidiabetic and Neuroprotective Activity of <i>Cestrum nocturnum</i> (Night Scented-Jasmine): Use of In Vitro and In Silico Approach in Determining the Potential Bioactive Compound |
| title_full | Secondary Metabolite Profiling, Antioxidant, Antidiabetic and Neuroprotective Activity of <i>Cestrum nocturnum</i> (Night Scented-Jasmine): Use of In Vitro and In Silico Approach in Determining the Potential Bioactive Compound |
| title_fullStr | Secondary Metabolite Profiling, Antioxidant, Antidiabetic and Neuroprotective Activity of <i>Cestrum nocturnum</i> (Night Scented-Jasmine): Use of In Vitro and In Silico Approach in Determining the Potential Bioactive Compound |
| title_full_unstemmed | Secondary Metabolite Profiling, Antioxidant, Antidiabetic and Neuroprotective Activity of <i>Cestrum nocturnum</i> (Night Scented-Jasmine): Use of In Vitro and In Silico Approach in Determining the Potential Bioactive Compound |
| title_short | Secondary Metabolite Profiling, Antioxidant, Antidiabetic and Neuroprotective Activity of <i>Cestrum nocturnum</i> (Night Scented-Jasmine): Use of In Vitro and In Silico Approach in Determining the Potential Bioactive Compound |
| title_sort | secondary metabolite profiling antioxidant antidiabetic and neuroprotective activity of i cestrum nocturnum i night scented jasmine use of in vitro and in silico approach in determining the potential bioactive compound |
| topic | diabetes α-amylase acetylcholinesterase Alzheimer secondary metabolites night blooming jasmine |
| url | https://www.mdpi.com/2223-7747/12/6/1206 |
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