RP-UHPLC-MS Chemical Profiling, Biological and In Silico Docking Studies to Unravel the Therapeutic Potential of <i>Heliotropium crispum</i> Desf. as a Novel Source of Neuroprotective Bioactive Compounds
<i>Heliotropium</i> is one of the most important plant genera to have conventional folklore importance, and hence is a potential source of bioactive compounds. Thus, the present study was designed to explore the therapeutic potential of <i>Heliotropium crispum</i> Desf., a re...
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MDPI AG
2021-01-01
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| Series: | Biomolecules |
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| Online Access: | https://www.mdpi.com/2218-273X/11/1/53 |
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| author | Adeel Arshad Saeed Ahemad Hammad Saleem Muhammad Saleem Gokhan Zengin Hassan H. Abdallah Muhammad Imran Tousif Nafees Ahemad Mohamad Fawzi Mahomoodally |
| author_facet | Adeel Arshad Saeed Ahemad Hammad Saleem Muhammad Saleem Gokhan Zengin Hassan H. Abdallah Muhammad Imran Tousif Nafees Ahemad Mohamad Fawzi Mahomoodally |
| author_sort | Adeel Arshad |
| collection | DOAJ |
| description | <i>Heliotropium</i> is one of the most important plant genera to have conventional folklore importance, and hence is a potential source of bioactive compounds. Thus, the present study was designed to explore the therapeutic potential of <i>Heliotropium crispum</i> Desf., a relatively under-explored medicinal plant species. Methanolic extracts prepared from a whole plant of <i>H. crispum</i> were studied for phytochemical composition and possible in vitro and in silico biological properties. Antioxidant potential was assessed via six different assays, and enzyme inhibition potential against key clinical enzymes involved in neurodegenerative diseases (acetylcholinesterase (AChE) and butyrylcholinesterase (BChE)), diabetes (α-amylase and α-glucosidase), and skin problems (tyrosinase) was assayed. Phytochemical composition was established via determination of the total bioactive contents and reverse phase ultra-high performance liquid chromatography mass spectrometry (RP-UHPLC-MS) analysis. Chemical profiling revealed the tentative presence of 50 secondary metabolites. The plant extract exhibited significant inhibition against AChE and BChE enzymes, with values of 3.80 and 3.44 mg GALAE/g extract, respectively. Further, the extract displayed considerable free radical scavenging activity against DPPH and ABTS radicals, with potential values of 43.19 and 41.80 mg TE/g extract, respectively. In addition, the selected compounds were then docked against the tested enzymes, which have shown high inhibition affinity. To conclude, <i>H. crispum</i> was found to harbor bioactive compounds and showed potent biological activities which could be further explored for potential uses in nutraceutical and pharmaceutical industries, particularly as a neuroprotective agent. |
| first_indexed | 2024-03-10T13:31:10Z |
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| language | English |
| last_indexed | 2024-03-10T13:31:10Z |
| publishDate | 2021-01-01 |
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| series | Biomolecules |
| spelling | doaj.art-9752c0ef6f334cfd96ef16f22e73fa9f2023-11-21T08:03:20ZengMDPI AGBiomolecules2218-273X2021-01-011115310.3390/biom11010053RP-UHPLC-MS Chemical Profiling, Biological and In Silico Docking Studies to Unravel the Therapeutic Potential of <i>Heliotropium crispum</i> Desf. as a Novel Source of Neuroprotective Bioactive CompoundsAdeel Arshad0Saeed Ahemad1Hammad Saleem2Muhammad Saleem3Gokhan Zengin4Hassan H. Abdallah5Muhammad Imran Tousif6Nafees Ahemad7Mohamad Fawzi Mahomoodally8Department of Pharmacy, Faculty of Pharmacy and Alternative Medicine, The Islamia University of Bahawalpur, Bahawalpur 63100, PakistanDepartment of Pharmacy, Faculty of Pharmacy and Alternative Medicine, The Islamia University of Bahawalpur, Bahawalpur 63100, PakistanSchool of Pharmacy, Monash University Malaysia, Jalan Lagoon Selatan, Bandar Sunway 47500, Selangor Darul Ehsan, MalaysiaDepartment of Chemistry, The Islamia University of Bahawalpur, Bahawalpur 63100, PakistanDepartment of Biology, Science Faculty, Selcuk University, 42130 Konya, TurkeyChemistry Department, College of Education, Salahaddin University-Erbil, Erbil 44001, IraqDepartment of Chemistry, Township Campus, University of Education Lahore, Lahore 54000, PakistanSchool of Pharmacy, Monash University Malaysia, Jalan Lagoon Selatan, Bandar Sunway 47500, Selangor Darul Ehsan, MalaysiaDepartment for Management of Science and Technology Development, Ton Duc Thang University, Ho Chi Minh City 70000, Vietnam<i>Heliotropium</i> is one of the most important plant genera to have conventional folklore importance, and hence is a potential source of bioactive compounds. Thus, the present study was designed to explore the therapeutic potential of <i>Heliotropium crispum</i> Desf., a relatively under-explored medicinal plant species. Methanolic extracts prepared from a whole plant of <i>H. crispum</i> were studied for phytochemical composition and possible in vitro and in silico biological properties. Antioxidant potential was assessed via six different assays, and enzyme inhibition potential against key clinical enzymes involved in neurodegenerative diseases (acetylcholinesterase (AChE) and butyrylcholinesterase (BChE)), diabetes (α-amylase and α-glucosidase), and skin problems (tyrosinase) was assayed. Phytochemical composition was established via determination of the total bioactive contents and reverse phase ultra-high performance liquid chromatography mass spectrometry (RP-UHPLC-MS) analysis. Chemical profiling revealed the tentative presence of 50 secondary metabolites. The plant extract exhibited significant inhibition against AChE and BChE enzymes, with values of 3.80 and 3.44 mg GALAE/g extract, respectively. Further, the extract displayed considerable free radical scavenging activity against DPPH and ABTS radicals, with potential values of 43.19 and 41.80 mg TE/g extract, respectively. In addition, the selected compounds were then docked against the tested enzymes, which have shown high inhibition affinity. To conclude, <i>H. crispum</i> was found to harbor bioactive compounds and showed potent biological activities which could be further explored for potential uses in nutraceutical and pharmaceutical industries, particularly as a neuroprotective agent.https://www.mdpi.com/2218-273X/11/1/53<i>Heliotropium crispum</i>methanolic extractantioxidantenzyme inhibitiondockingphytochemical profiling |
| spellingShingle | Adeel Arshad Saeed Ahemad Hammad Saleem Muhammad Saleem Gokhan Zengin Hassan H. Abdallah Muhammad Imran Tousif Nafees Ahemad Mohamad Fawzi Mahomoodally RP-UHPLC-MS Chemical Profiling, Biological and In Silico Docking Studies to Unravel the Therapeutic Potential of <i>Heliotropium crispum</i> Desf. as a Novel Source of Neuroprotective Bioactive Compounds Biomolecules <i>Heliotropium crispum</i> methanolic extract antioxidant enzyme inhibition docking phytochemical profiling |
| title | RP-UHPLC-MS Chemical Profiling, Biological and In Silico Docking Studies to Unravel the Therapeutic Potential of <i>Heliotropium crispum</i> Desf. as a Novel Source of Neuroprotective Bioactive Compounds |
| title_full | RP-UHPLC-MS Chemical Profiling, Biological and In Silico Docking Studies to Unravel the Therapeutic Potential of <i>Heliotropium crispum</i> Desf. as a Novel Source of Neuroprotective Bioactive Compounds |
| title_fullStr | RP-UHPLC-MS Chemical Profiling, Biological and In Silico Docking Studies to Unravel the Therapeutic Potential of <i>Heliotropium crispum</i> Desf. as a Novel Source of Neuroprotective Bioactive Compounds |
| title_full_unstemmed | RP-UHPLC-MS Chemical Profiling, Biological and In Silico Docking Studies to Unravel the Therapeutic Potential of <i>Heliotropium crispum</i> Desf. as a Novel Source of Neuroprotective Bioactive Compounds |
| title_short | RP-UHPLC-MS Chemical Profiling, Biological and In Silico Docking Studies to Unravel the Therapeutic Potential of <i>Heliotropium crispum</i> Desf. as a Novel Source of Neuroprotective Bioactive Compounds |
| title_sort | rp uhplc ms chemical profiling biological and in silico docking studies to unravel the therapeutic potential of i heliotropium crispum i desf as a novel source of neuroprotective bioactive compounds |
| topic | <i>Heliotropium crispum</i> methanolic extract antioxidant enzyme inhibition docking phytochemical profiling |
| url | https://www.mdpi.com/2218-273X/11/1/53 |
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