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Bioinformatics Tools for the Analysis of Active Compounds Identified in Ranunculaceae Species
The chemical compounds from extracts of three Ranunculaceae species, Aconitum toxicum Rchb., Anemone nemorosa L. and Helleborus odorus Waldst. & Kit. ex Willd., respectively, were isolated using the HPLC purification technique and analyzed from a bioinformatics point of view. The classes of comp...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10303079/ https://www.ncbi.nlm.nih.gov/pubmed/37375790 http://dx.doi.org/10.3390/ph16060842 |
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author | Mareş, Cătălina Udrea, Ana-Maria Şuţan, Nicoleta Anca Avram, Speranţa |
author_facet | Mareş, Cătălina Udrea, Ana-Maria Şuţan, Nicoleta Anca Avram, Speranţa |
author_sort | Mareş, Cătălina |
collection | PubMed |
description | The chemical compounds from extracts of three Ranunculaceae species, Aconitum toxicum Rchb., Anemone nemorosa L. and Helleborus odorus Waldst. & Kit. ex Willd., respectively, were isolated using the HPLC purification technique and analyzed from a bioinformatics point of view. The classes of compounds identified based on the proportion in the rhizomes/leaves/flowers used for microwave-assisted extraction and ultrasound-assisted extraction were alkaloids and phenols. Here, the quantifying of pharmacokinetics, pharmacogenomics and pharmacodynamics helps us to identify the actual biologically active compounds. Our results showed that (i) pharmacokinetically, the compounds show good absorption at the intestinal level and high permeability at the level of the central nervous system for alkaloids; (ii) regarding pharmacogenomics, alkaloids can influence tumor sensitivity and the effectiveness of some treatments; (iii) and pharmacodynamically, the compounds of these Ranunculaceae species bind to carbonic anhydrase and aldose reductase. The results obtained showed a high affinity of the compounds in the binding solution at the level of carbonic anhydrases. Carbonic anhydrase inhibitors extracted from natural sources can represent the path to new drugs useful both in the treatment of glaucoma, but also of some renal, neurological and even neoplastic diseases. The identification of natural compounds with the role of inhibitors can have a role in different types of pathologies, both associated with studied and known receptors such as carbonic anhydrase and aldose reductase, as well as new pathologies not yet addressed. |
format | Online Article Text |
id | pubmed-10303079 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-103030792023-06-29 Bioinformatics Tools for the Analysis of Active Compounds Identified in Ranunculaceae Species Mareş, Cătălina Udrea, Ana-Maria Şuţan, Nicoleta Anca Avram, Speranţa Pharmaceuticals (Basel) Article The chemical compounds from extracts of three Ranunculaceae species, Aconitum toxicum Rchb., Anemone nemorosa L. and Helleborus odorus Waldst. & Kit. ex Willd., respectively, were isolated using the HPLC purification technique and analyzed from a bioinformatics point of view. The classes of compounds identified based on the proportion in the rhizomes/leaves/flowers used for microwave-assisted extraction and ultrasound-assisted extraction were alkaloids and phenols. Here, the quantifying of pharmacokinetics, pharmacogenomics and pharmacodynamics helps us to identify the actual biologically active compounds. Our results showed that (i) pharmacokinetically, the compounds show good absorption at the intestinal level and high permeability at the level of the central nervous system for alkaloids; (ii) regarding pharmacogenomics, alkaloids can influence tumor sensitivity and the effectiveness of some treatments; (iii) and pharmacodynamically, the compounds of these Ranunculaceae species bind to carbonic anhydrase and aldose reductase. The results obtained showed a high affinity of the compounds in the binding solution at the level of carbonic anhydrases. Carbonic anhydrase inhibitors extracted from natural sources can represent the path to new drugs useful both in the treatment of glaucoma, but also of some renal, neurological and even neoplastic diseases. The identification of natural compounds with the role of inhibitors can have a role in different types of pathologies, both associated with studied and known receptors such as carbonic anhydrase and aldose reductase, as well as new pathologies not yet addressed. MDPI 2023-06-05 /pmc/articles/PMC10303079/ /pubmed/37375790 http://dx.doi.org/10.3390/ph16060842 Text en © 2023 by the authors. https://creativecommons.org/licenses/by/4.0/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 (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Mareş, Cătălina Udrea, Ana-Maria Şuţan, Nicoleta Anca Avram, Speranţa Bioinformatics Tools for the Analysis of Active Compounds Identified in Ranunculaceae Species |
title | Bioinformatics Tools for the Analysis of Active Compounds Identified in Ranunculaceae Species |
title_full | Bioinformatics Tools for the Analysis of Active Compounds Identified in Ranunculaceae Species |
title_fullStr | Bioinformatics Tools for the Analysis of Active Compounds Identified in Ranunculaceae Species |
title_full_unstemmed | Bioinformatics Tools for the Analysis of Active Compounds Identified in Ranunculaceae Species |
title_short | Bioinformatics Tools for the Analysis of Active Compounds Identified in Ranunculaceae Species |
title_sort | bioinformatics tools for the analysis of active compounds identified in ranunculaceae species |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10303079/ https://www.ncbi.nlm.nih.gov/pubmed/37375790 http://dx.doi.org/10.3390/ph16060842 |
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