Cargando…
RP-UHPLC-MS Chemical Profiling, Biological and In Silico Docking Studies to Unravel the Therapeutic Potential of Heliotropium crispum Desf. as a Novel Source of Neuroprotective Bioactive Compounds
Heliotropium 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 Heliotropium crispum Desf., a relatively under-explored medicinal plan...
Autores principales: | , , , , , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2021
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7824284/ https://www.ncbi.nlm.nih.gov/pubmed/33406643 http://dx.doi.org/10.3390/biom11010053 |
_version_ | 1783640039862829056 |
---|---|
author | Arshad, Adeel Ahemad, Saeed Saleem, Hammad Saleem, Muhammad Zengin, Gokhan Abdallah, Hassan H. Tousif, Muhammad Imran Ahemad, Nafees Fawzi Mahomoodally, Mohamad |
author_facet | Arshad, Adeel Ahemad, Saeed Saleem, Hammad Saleem, Muhammad Zengin, Gokhan Abdallah, Hassan H. Tousif, Muhammad Imran Ahemad, Nafees Fawzi Mahomoodally, Mohamad |
author_sort | Arshad, Adeel |
collection | PubMed |
description | Heliotropium 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 Heliotropium crispum Desf., a relatively under-explored medicinal plant species. Methanolic extracts prepared from a whole plant of H. crispum 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, H. crispum 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. |
format | Online Article Text |
id | pubmed-7824284 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-78242842021-01-24 RP-UHPLC-MS Chemical Profiling, Biological and In Silico Docking Studies to Unravel the Therapeutic Potential of Heliotropium crispum Desf. as a Novel Source of Neuroprotective Bioactive Compounds Arshad, Adeel Ahemad, Saeed Saleem, Hammad Saleem, Muhammad Zengin, Gokhan Abdallah, Hassan H. Tousif, Muhammad Imran Ahemad, Nafees Fawzi Mahomoodally, Mohamad Biomolecules Article Heliotropium 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 Heliotropium crispum Desf., a relatively under-explored medicinal plant species. Methanolic extracts prepared from a whole plant of H. crispum 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, H. crispum 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. MDPI 2021-01-04 /pmc/articles/PMC7824284/ /pubmed/33406643 http://dx.doi.org/10.3390/biom11010053 Text en © 2021 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Arshad, Adeel Ahemad, Saeed Saleem, Hammad Saleem, Muhammad Zengin, Gokhan Abdallah, Hassan H. Tousif, Muhammad Imran Ahemad, Nafees Fawzi Mahomoodally, Mohamad RP-UHPLC-MS Chemical Profiling, Biological and In Silico Docking Studies to Unravel the Therapeutic Potential of Heliotropium crispum Desf. as a Novel Source of Neuroprotective Bioactive Compounds |
title | RP-UHPLC-MS Chemical Profiling, Biological and In Silico Docking Studies to Unravel the Therapeutic Potential of Heliotropium crispum 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 Heliotropium crispum 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 Heliotropium crispum 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 Heliotropium crispum 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 Heliotropium crispum 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 heliotropium crispum desf. as a novel source of neuroprotective bioactive compounds |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7824284/ https://www.ncbi.nlm.nih.gov/pubmed/33406643 http://dx.doi.org/10.3390/biom11010053 |
work_keys_str_mv | AT arshadadeel rpuhplcmschemicalprofilingbiologicalandinsilicodockingstudiestounravelthetherapeuticpotentialofheliotropiumcrispumdesfasanovelsourceofneuroprotectivebioactivecompounds AT ahemadsaeed rpuhplcmschemicalprofilingbiologicalandinsilicodockingstudiestounravelthetherapeuticpotentialofheliotropiumcrispumdesfasanovelsourceofneuroprotectivebioactivecompounds AT saleemhammad rpuhplcmschemicalprofilingbiologicalandinsilicodockingstudiestounravelthetherapeuticpotentialofheliotropiumcrispumdesfasanovelsourceofneuroprotectivebioactivecompounds AT saleemmuhammad rpuhplcmschemicalprofilingbiologicalandinsilicodockingstudiestounravelthetherapeuticpotentialofheliotropiumcrispumdesfasanovelsourceofneuroprotectivebioactivecompounds AT zengingokhan rpuhplcmschemicalprofilingbiologicalandinsilicodockingstudiestounravelthetherapeuticpotentialofheliotropiumcrispumdesfasanovelsourceofneuroprotectivebioactivecompounds AT abdallahhassanh rpuhplcmschemicalprofilingbiologicalandinsilicodockingstudiestounravelthetherapeuticpotentialofheliotropiumcrispumdesfasanovelsourceofneuroprotectivebioactivecompounds AT tousifmuhammadimran rpuhplcmschemicalprofilingbiologicalandinsilicodockingstudiestounravelthetherapeuticpotentialofheliotropiumcrispumdesfasanovelsourceofneuroprotectivebioactivecompounds AT ahemadnafees rpuhplcmschemicalprofilingbiologicalandinsilicodockingstudiestounravelthetherapeuticpotentialofheliotropiumcrispumdesfasanovelsourceofneuroprotectivebioactivecompounds AT fawzimahomoodallymohamad rpuhplcmschemicalprofilingbiologicalandinsilicodockingstudiestounravelthetherapeuticpotentialofheliotropiumcrispumdesfasanovelsourceofneuroprotectivebioactivecompounds |