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Computational and Pharmacological Studies on the Antioxidant, Thrombolytic, Anti-Inflammatory, and Analgesic Activity of Molineria capitulata
Molineria capitulata is an ornamental plant that has traditionally been used to treat several chronic diseases. The present study was designed to examine the antioxidant, cytotoxic, thrombolytic, anti-inflammatory, and analgesic activities of a methanolic extract of M. capitulata leaves (MEMC) using...
Autores principales: | , , , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8929091/ https://www.ncbi.nlm.nih.gov/pubmed/34206443 http://dx.doi.org/10.3390/cimb43020035 |
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author | Shovo, Mohammad Ashiqur Rahman Bhuiyan Tona, Marzia Rahman Mouah, Jannatul Islam, Fayza Chowdhury, Md. Helal Uddin Das, Tuhin Paul, Arkajyoti Ağagündüz, Duygu Rahman, Md. Masudur Emran, Talha Bin Capasso, Raffaele Simal-Gandara, Jesus |
author_facet | Shovo, Mohammad Ashiqur Rahman Bhuiyan Tona, Marzia Rahman Mouah, Jannatul Islam, Fayza Chowdhury, Md. Helal Uddin Das, Tuhin Paul, Arkajyoti Ağagündüz, Duygu Rahman, Md. Masudur Emran, Talha Bin Capasso, Raffaele Simal-Gandara, Jesus |
author_sort | Shovo, Mohammad Ashiqur Rahman Bhuiyan |
collection | PubMed |
description | Molineria capitulata is an ornamental plant that has traditionally been used to treat several chronic diseases. The present study was designed to examine the antioxidant, cytotoxic, thrombolytic, anti-inflammatory, and analgesic activities of a methanolic extract of M. capitulata leaves (MEMC) using both experimental and computational models. Previously established protocols were used to perform qualitative and quantitative phytochemical screening in MEMC. A computational study, including molecular docking and ADME/T analyses, was performed. The quantitative phytochemical analysis revealed the total phenolic and flavonoid contents as 148.67 and 24 mg/g, respectively. Antioxidant activity was assessed by examining the reducing power of MEMC, resulting in absorbance of 1.87 at 400 µg/mL, demonstrating a strong reduction capacity. The extract exhibited significant protection against blood clotting and showed the highest protein denaturation inhibition at 500 µg/mL. In both the acetic acid-induced writhing and formalin-induced paw-licking models, MEMC resulted in significant potential pain inhibition in mice. In the computational analysis, 4-hydroxybenzaldehyde, orcinol glucoside, curcapital, crassifogenin C, and 2,6-dimethoxy-benzoic acid displayed a strong predictive binding affinity against the respective receptors. These findings indicated that M. capitulata possesses significant pharmacological activities to an extent supported by computational studies. |
format | Online Article Text |
id | pubmed-8929091 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-89290912022-06-04 Computational and Pharmacological Studies on the Antioxidant, Thrombolytic, Anti-Inflammatory, and Analgesic Activity of Molineria capitulata Shovo, Mohammad Ashiqur Rahman Bhuiyan Tona, Marzia Rahman Mouah, Jannatul Islam, Fayza Chowdhury, Md. Helal Uddin Das, Tuhin Paul, Arkajyoti Ağagündüz, Duygu Rahman, Md. Masudur Emran, Talha Bin Capasso, Raffaele Simal-Gandara, Jesus Curr Issues Mol Biol Article Molineria capitulata is an ornamental plant that has traditionally been used to treat several chronic diseases. The present study was designed to examine the antioxidant, cytotoxic, thrombolytic, anti-inflammatory, and analgesic activities of a methanolic extract of M. capitulata leaves (MEMC) using both experimental and computational models. Previously established protocols were used to perform qualitative and quantitative phytochemical screening in MEMC. A computational study, including molecular docking and ADME/T analyses, was performed. The quantitative phytochemical analysis revealed the total phenolic and flavonoid contents as 148.67 and 24 mg/g, respectively. Antioxidant activity was assessed by examining the reducing power of MEMC, resulting in absorbance of 1.87 at 400 µg/mL, demonstrating a strong reduction capacity. The extract exhibited significant protection against blood clotting and showed the highest protein denaturation inhibition at 500 µg/mL. In both the acetic acid-induced writhing and formalin-induced paw-licking models, MEMC resulted in significant potential pain inhibition in mice. In the computational analysis, 4-hydroxybenzaldehyde, orcinol glucoside, curcapital, crassifogenin C, and 2,6-dimethoxy-benzoic acid displayed a strong predictive binding affinity against the respective receptors. These findings indicated that M. capitulata possesses significant pharmacological activities to an extent supported by computational studies. MDPI 2021-06-22 /pmc/articles/PMC8929091/ /pubmed/34206443 http://dx.doi.org/10.3390/cimb43020035 Text en © 2021 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 Shovo, Mohammad Ashiqur Rahman Bhuiyan Tona, Marzia Rahman Mouah, Jannatul Islam, Fayza Chowdhury, Md. Helal Uddin Das, Tuhin Paul, Arkajyoti Ağagündüz, Duygu Rahman, Md. Masudur Emran, Talha Bin Capasso, Raffaele Simal-Gandara, Jesus Computational and Pharmacological Studies on the Antioxidant, Thrombolytic, Anti-Inflammatory, and Analgesic Activity of Molineria capitulata |
title | Computational and Pharmacological Studies on the Antioxidant, Thrombolytic, Anti-Inflammatory, and Analgesic Activity of Molineria capitulata |
title_full | Computational and Pharmacological Studies on the Antioxidant, Thrombolytic, Anti-Inflammatory, and Analgesic Activity of Molineria capitulata |
title_fullStr | Computational and Pharmacological Studies on the Antioxidant, Thrombolytic, Anti-Inflammatory, and Analgesic Activity of Molineria capitulata |
title_full_unstemmed | Computational and Pharmacological Studies on the Antioxidant, Thrombolytic, Anti-Inflammatory, and Analgesic Activity of Molineria capitulata |
title_short | Computational and Pharmacological Studies on the Antioxidant, Thrombolytic, Anti-Inflammatory, and Analgesic Activity of Molineria capitulata |
title_sort | computational and pharmacological studies on the antioxidant, thrombolytic, anti-inflammatory, and analgesic activity of molineria capitulata |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8929091/ https://www.ncbi.nlm.nih.gov/pubmed/34206443 http://dx.doi.org/10.3390/cimb43020035 |
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