Unveiling neuroprotective mechanisms of diosgenin and pterostilbene in diabetes-associated Alzheimer’s disease through multi-target molecular docking approach
Introduction: Diabetes mellitus (DM) and Alzheimer’s disease (AD) are two highly linked disorders due to their association with the aging population. Several studies have reported the beneficial effects of diosgenin and pterostilbene in treating neurodegenerative diseases. This study aimed to invest...
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Shahrekord University of Medical Sciences
2024-10-01
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| Series: | Journal of HerbMed Pharmacology |
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| Online Access: | https://herbmedpharmacol.com/PDF/jhp-13-659.pdf |
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| author | Syeda Jabeen Fatima Devarakonda Krishna Prasad |
| author_facet | Syeda Jabeen Fatima Devarakonda Krishna Prasad |
| author_sort | Syeda Jabeen Fatima |
| collection | DOAJ |
| description | Introduction: Diabetes mellitus (DM) and Alzheimer’s disease (AD) are two highly linked disorders due to their association with the aging population. Several studies have reported the beneficial effects of diosgenin and pterostilbene in treating neurodegenerative diseases. This study aimed to investigate the neuroprotective mechanisms of diosgenin and pterostilbene through molecular docking and dynamics studies and assess their pharmacokinetic parameters. Methods: To understand the link between diabetes and AD, molecular docking of the natural ligands diosgenin and pterostilbene against the specific targets of AD, including β-secretase, glycogen synthetase kinase beta (GSK-3β), gamma-secretase, tumor necrosis factor-alpha (TNF-ɑ), and interleukin-6 (IL-6) was done to find out their binding affinities to explain the molecular mechanisms involved in their neuroprotection. Further molecular dynamics studies and binding energy calculations for the ligands with GSK-3β and β-secretase were carried out to confirm their docking activities. Additionally, pharmacokinetic analysis of these two phytoconstituents was performed by the SWISSADME server. Results: Molecular docking and dynamics studies revealed the good docking activity of diosgenin and pterostilbene with the selected targets. Further, the two phytoconstituents revealed suitable pharmacokinetic parameters along with blood-brain barrier permeability, confirming their druggable nature. Conclusion: This research identified multiple neuroprotective pathways of diosgenin and pterostilbene that might be significant for treating diabetes-associated Alzheimer’s disease. |
| format | Article |
| id | doaj-art-d1ef94e6e33b4b1c9c3c08902d63864d |
| institution | OA Journals |
| issn | 2345-5004 |
| language | English |
| publishDate | 2024-10-01 |
| publisher | Shahrekord University of Medical Sciences |
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| series | Journal of HerbMed Pharmacology |
| spelling | doaj-art-d1ef94e6e33b4b1c9c3c08902d63864d2025-08-20T02:38:49ZengShahrekord University of Medical SciencesJournal of HerbMed Pharmacology2345-50042024-10-0113465967310.34172/jhp.2024.52606jhp-52606Unveiling neuroprotective mechanisms of diosgenin and pterostilbene in diabetes-associated Alzheimer’s disease through multi-target molecular docking approachSyeda Jabeen Fatima0Devarakonda Krishna Prasad1Department of Pharmacology, Anurag University, Venkatapur, Ghatkesar Rd., Hyderabad, 500088, Telangana, IndiaDepartment of Pharmacology, Anurag University, Venkatapur, Ghatkesar Rd., Hyderabad, 500088, Telangana, IndiaIntroduction: Diabetes mellitus (DM) and Alzheimer’s disease (AD) are two highly linked disorders due to their association with the aging population. Several studies have reported the beneficial effects of diosgenin and pterostilbene in treating neurodegenerative diseases. This study aimed to investigate the neuroprotective mechanisms of diosgenin and pterostilbene through molecular docking and dynamics studies and assess their pharmacokinetic parameters. Methods: To understand the link between diabetes and AD, molecular docking of the natural ligands diosgenin and pterostilbene against the specific targets of AD, including β-secretase, glycogen synthetase kinase beta (GSK-3β), gamma-secretase, tumor necrosis factor-alpha (TNF-ɑ), and interleukin-6 (IL-6) was done to find out their binding affinities to explain the molecular mechanisms involved in their neuroprotection. Further molecular dynamics studies and binding energy calculations for the ligands with GSK-3β and β-secretase were carried out to confirm their docking activities. Additionally, pharmacokinetic analysis of these two phytoconstituents was performed by the SWISSADME server. Results: Molecular docking and dynamics studies revealed the good docking activity of diosgenin and pterostilbene with the selected targets. Further, the two phytoconstituents revealed suitable pharmacokinetic parameters along with blood-brain barrier permeability, confirming their druggable nature. Conclusion: This research identified multiple neuroprotective pathways of diosgenin and pterostilbene that might be significant for treating diabetes-associated Alzheimer’s disease.https://herbmedpharmacol.com/PDF/jhp-13-659.pdfalzheimer’s diseasediabetes mellitusdiosgeninmolecular dockingpterostilbene |
| spellingShingle | Syeda Jabeen Fatima Devarakonda Krishna Prasad Unveiling neuroprotective mechanisms of diosgenin and pterostilbene in diabetes-associated Alzheimer’s disease through multi-target molecular docking approach Journal of HerbMed Pharmacology alzheimer’s disease diabetes mellitus diosgenin molecular docking pterostilbene |
| title | Unveiling neuroprotective mechanisms of diosgenin and pterostilbene in diabetes-associated Alzheimer’s disease through multi-target molecular docking approach |
| title_full | Unveiling neuroprotective mechanisms of diosgenin and pterostilbene in diabetes-associated Alzheimer’s disease through multi-target molecular docking approach |
| title_fullStr | Unveiling neuroprotective mechanisms of diosgenin and pterostilbene in diabetes-associated Alzheimer’s disease through multi-target molecular docking approach |
| title_full_unstemmed | Unveiling neuroprotective mechanisms of diosgenin and pterostilbene in diabetes-associated Alzheimer’s disease through multi-target molecular docking approach |
| title_short | Unveiling neuroprotective mechanisms of diosgenin and pterostilbene in diabetes-associated Alzheimer’s disease through multi-target molecular docking approach |
| title_sort | unveiling neuroprotective mechanisms of diosgenin and pterostilbene in diabetes associated alzheimer s disease through multi target molecular docking approach |
| topic | alzheimer’s disease diabetes mellitus diosgenin molecular docking pterostilbene |
| url | https://herbmedpharmacol.com/PDF/jhp-13-659.pdf |
| work_keys_str_mv | AT syedajabeenfatima unveilingneuroprotectivemechanismsofdiosgeninandpterostilbeneindiabetesassociatedalzheimersdiseasethroughmultitargetmoleculardockingapproach AT devarakondakrishnaprasad unveilingneuroprotectivemechanismsofdiosgeninandpterostilbeneindiabetesassociatedalzheimersdiseasethroughmultitargetmoleculardockingapproach |