Cargando…
Bioassay Analysis and Molecular Docking Study Revealed the Potential Medicinal Activities of Active Compounds Polygonumins B, C and D from Polygonum minus (Persicaria minor)
Polygonumins B, C and D, derivative compounds of polygonumins A, were isolated from the stem of Polygonum minus. Based on NMR results, the structure of polygonumins derivatives is comprised of four phenylpropanoid units and a sucrose unit, with a similar structure to polygonumins A. However, the str...
Autores principales: | , , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9823858/ https://www.ncbi.nlm.nih.gov/pubmed/36616187 http://dx.doi.org/10.3390/plants12010059 |
_version_ | 1784866266215874560 |
---|---|
author | Ahmad, Rafidah Rosandy, Andi Rifki Sahidin, Idin Ab Ghani, Nur Syatila Noor, Normah Mohd Baharum, Syarul Nataqain |
author_facet | Ahmad, Rafidah Rosandy, Andi Rifki Sahidin, Idin Ab Ghani, Nur Syatila Noor, Normah Mohd Baharum, Syarul Nataqain |
author_sort | Ahmad, Rafidah |
collection | PubMed |
description | Polygonumins B, C and D, derivative compounds of polygonumins A, were isolated from the stem of Polygonum minus. Based on NMR results, the structure of polygonumins derivatives is comprised of four phenylpropanoid units and a sucrose unit, with a similar structure to polygonumins A. However, the structural differences between polygonumins B (1), C (2) and D (3) can be distinguished based on the existence of methoxy, ethanoyl and hydroxyl groups and protons which bind to C-4, C-4′ and C-3″. Interestingly, these bioactive compounds showed various medicinal properties based on our investigation on antioxidant, anticholinesterase and anti-HIV-1 protease activities. The IC(50) value of DPPH and ABTS (antioxidant activities) was in the following descending order: polygonumins B > polygonumins C > polygonumins A > polygonumins D. In addition, almost similar pattern of antioxidant activity was observed for anti-acetylcholinesterase activity based on its IC(50) value in descending order: polygonumins B > polygonumins C > polygonumins D > polygonumins A. On the other hand, polygonumins C and D showed inhibition of HIV-1 protease activity more than the positive control, pepstatin A. Finally, molecular docking studies on AChE and BChE proteins were carried out in order to gain insight into the mode of interactions between these compounds and the active residues for both enzymes. These remarkable findings indicate that these compounds have potential to be developed as targeted drugs for Alzheimer’s disease or as anti-HIV drugs. |
format | Online Article Text |
id | pubmed-9823858 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-98238582023-01-08 Bioassay Analysis and Molecular Docking Study Revealed the Potential Medicinal Activities of Active Compounds Polygonumins B, C and D from Polygonum minus (Persicaria minor) Ahmad, Rafidah Rosandy, Andi Rifki Sahidin, Idin Ab Ghani, Nur Syatila Noor, Normah Mohd Baharum, Syarul Nataqain Plants (Basel) Article Polygonumins B, C and D, derivative compounds of polygonumins A, were isolated from the stem of Polygonum minus. Based on NMR results, the structure of polygonumins derivatives is comprised of four phenylpropanoid units and a sucrose unit, with a similar structure to polygonumins A. However, the structural differences between polygonumins B (1), C (2) and D (3) can be distinguished based on the existence of methoxy, ethanoyl and hydroxyl groups and protons which bind to C-4, C-4′ and C-3″. Interestingly, these bioactive compounds showed various medicinal properties based on our investigation on antioxidant, anticholinesterase and anti-HIV-1 protease activities. The IC(50) value of DPPH and ABTS (antioxidant activities) was in the following descending order: polygonumins B > polygonumins C > polygonumins A > polygonumins D. In addition, almost similar pattern of antioxidant activity was observed for anti-acetylcholinesterase activity based on its IC(50) value in descending order: polygonumins B > polygonumins C > polygonumins D > polygonumins A. On the other hand, polygonumins C and D showed inhibition of HIV-1 protease activity more than the positive control, pepstatin A. Finally, molecular docking studies on AChE and BChE proteins were carried out in order to gain insight into the mode of interactions between these compounds and the active residues for both enzymes. These remarkable findings indicate that these compounds have potential to be developed as targeted drugs for Alzheimer’s disease or as anti-HIV drugs. MDPI 2022-12-22 /pmc/articles/PMC9823858/ /pubmed/36616187 http://dx.doi.org/10.3390/plants12010059 Text en © 2022 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 Ahmad, Rafidah Rosandy, Andi Rifki Sahidin, Idin Ab Ghani, Nur Syatila Noor, Normah Mohd Baharum, Syarul Nataqain Bioassay Analysis and Molecular Docking Study Revealed the Potential Medicinal Activities of Active Compounds Polygonumins B, C and D from Polygonum minus (Persicaria minor) |
title | Bioassay Analysis and Molecular Docking Study Revealed the Potential Medicinal Activities of Active Compounds Polygonumins B, C and D from Polygonum minus (Persicaria minor) |
title_full | Bioassay Analysis and Molecular Docking Study Revealed the Potential Medicinal Activities of Active Compounds Polygonumins B, C and D from Polygonum minus (Persicaria minor) |
title_fullStr | Bioassay Analysis and Molecular Docking Study Revealed the Potential Medicinal Activities of Active Compounds Polygonumins B, C and D from Polygonum minus (Persicaria minor) |
title_full_unstemmed | Bioassay Analysis and Molecular Docking Study Revealed the Potential Medicinal Activities of Active Compounds Polygonumins B, C and D from Polygonum minus (Persicaria minor) |
title_short | Bioassay Analysis and Molecular Docking Study Revealed the Potential Medicinal Activities of Active Compounds Polygonumins B, C and D from Polygonum minus (Persicaria minor) |
title_sort | bioassay analysis and molecular docking study revealed the potential medicinal activities of active compounds polygonumins b, c and d from polygonum minus (persicaria minor) |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9823858/ https://www.ncbi.nlm.nih.gov/pubmed/36616187 http://dx.doi.org/10.3390/plants12010059 |
work_keys_str_mv | AT ahmadrafidah bioassayanalysisandmoleculardockingstudyrevealedthepotentialmedicinalactivitiesofactivecompoundspolygonuminsbcanddfrompolygonumminuspersicariaminor AT rosandyandirifki bioassayanalysisandmoleculardockingstudyrevealedthepotentialmedicinalactivitiesofactivecompoundspolygonuminsbcanddfrompolygonumminuspersicariaminor AT sahidinidin bioassayanalysisandmoleculardockingstudyrevealedthepotentialmedicinalactivitiesofactivecompoundspolygonuminsbcanddfrompolygonumminuspersicariaminor AT abghaninursyatila bioassayanalysisandmoleculardockingstudyrevealedthepotentialmedicinalactivitiesofactivecompoundspolygonuminsbcanddfrompolygonumminuspersicariaminor AT noornormahmohd bioassayanalysisandmoleculardockingstudyrevealedthepotentialmedicinalactivitiesofactivecompoundspolygonuminsbcanddfrompolygonumminuspersicariaminor AT baharumsyarulnataqain bioassayanalysisandmoleculardockingstudyrevealedthepotentialmedicinalactivitiesofactivecompoundspolygonuminsbcanddfrompolygonumminuspersicariaminor |