Elucidating the active interaction mechanism of phytochemicals withanolide and withanoside derivatives with human serum albumin.
Withania somnifera (Ashwagandha) is an efficient medicinal plant known in Ayurveda and Chinese medicine since ancient times, whose extracts are consumed orally as food supplement or as a health tonic owing to its several restorative properties for various CNS disorders, inflammation, tumour, stress,...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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Public Library of Science (PLoS)
2018-01-01
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| Series: | PLoS ONE |
| Online Access: | http://europepmc.org/articles/PMC6221254?pdf=render |
| _version_ | 1818409303471554560 |
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| author | Shreya Dubey Monika Kallubai Arijit Sarkar Rajagopal Subramanyam |
| author_facet | Shreya Dubey Monika Kallubai Arijit Sarkar Rajagopal Subramanyam |
| author_sort | Shreya Dubey |
| collection | DOAJ |
| description | Withania somnifera (Ashwagandha) is an efficient medicinal plant known in Ayurveda and Chinese medicine since ancient times, whose extracts are consumed orally as food supplement or as a health tonic owing to its several restorative properties for various CNS disorders, inflammation, tumour, stress, rheumatism etc. In this study, we have analyzed the binding interaction of four derivatives of Withania somnifera (Withanolide A, Withanolide B, Withanoside IV and Withanoside V) with HSA because of their important pharmacological properties. To unravel the binding between derivatives of Withania somnifera and HSA, fluorescence spectroscopy was used. Binding studies were further studied by molecular docking and dynamics and results confirmed greater stability upon binding of derivatives with HSA. Circular dichroism data illustrated change in the secondary structure of protein upon interaction with these derivatives, particularly the helical structure was increased and β-sheets and random coils were decreased. Furthermore, morphological and topological changes were observed using AFM and TEM upon binding of ligands with HSA indicating that HSA-withnoside/withanolide complexes were formed. All the results cumulatively demonstrate strong binding of withanosides and withanolides derivatives with serum albumin, which should further be explored to study the pharmacokinetics and pharmacodynamics of these derivatives. |
| first_indexed | 2024-12-14T09:57:29Z |
| format | Article |
| id | doaj.art-28f8c52967ae4c48a6278e060e84ef03 |
| institution | Directory Open Access Journal |
| issn | 1932-6203 |
| language | English |
| last_indexed | 2024-12-14T09:57:29Z |
| publishDate | 2018-01-01 |
| publisher | Public Library of Science (PLoS) |
| record_format | Article |
| series | PLoS ONE |
| spelling | doaj.art-28f8c52967ae4c48a6278e060e84ef032022-12-21T23:07:21ZengPublic Library of Science (PLoS)PLoS ONE1932-62032018-01-011311e020005310.1371/journal.pone.0200053Elucidating the active interaction mechanism of phytochemicals withanolide and withanoside derivatives with human serum albumin.Shreya DubeyMonika KallubaiArijit SarkarRajagopal SubramanyamWithania somnifera (Ashwagandha) is an efficient medicinal plant known in Ayurveda and Chinese medicine since ancient times, whose extracts are consumed orally as food supplement or as a health tonic owing to its several restorative properties for various CNS disorders, inflammation, tumour, stress, rheumatism etc. In this study, we have analyzed the binding interaction of four derivatives of Withania somnifera (Withanolide A, Withanolide B, Withanoside IV and Withanoside V) with HSA because of their important pharmacological properties. To unravel the binding between derivatives of Withania somnifera and HSA, fluorescence spectroscopy was used. Binding studies were further studied by molecular docking and dynamics and results confirmed greater stability upon binding of derivatives with HSA. Circular dichroism data illustrated change in the secondary structure of protein upon interaction with these derivatives, particularly the helical structure was increased and β-sheets and random coils were decreased. Furthermore, morphological and topological changes were observed using AFM and TEM upon binding of ligands with HSA indicating that HSA-withnoside/withanolide complexes were formed. All the results cumulatively demonstrate strong binding of withanosides and withanolides derivatives with serum albumin, which should further be explored to study the pharmacokinetics and pharmacodynamics of these derivatives.http://europepmc.org/articles/PMC6221254?pdf=render |
| spellingShingle | Shreya Dubey Monika Kallubai Arijit Sarkar Rajagopal Subramanyam Elucidating the active interaction mechanism of phytochemicals withanolide and withanoside derivatives with human serum albumin. PLoS ONE |
| title | Elucidating the active interaction mechanism of phytochemicals withanolide and withanoside derivatives with human serum albumin. |
| title_full | Elucidating the active interaction mechanism of phytochemicals withanolide and withanoside derivatives with human serum albumin. |
| title_fullStr | Elucidating the active interaction mechanism of phytochemicals withanolide and withanoside derivatives with human serum albumin. |
| title_full_unstemmed | Elucidating the active interaction mechanism of phytochemicals withanolide and withanoside derivatives with human serum albumin. |
| title_short | Elucidating the active interaction mechanism of phytochemicals withanolide and withanoside derivatives with human serum albumin. |
| title_sort | elucidating the active interaction mechanism of phytochemicals withanolide and withanoside derivatives with human serum albumin |
| url | http://europepmc.org/articles/PMC6221254?pdf=render |
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