Computational investigation reveals amentoflavone as a promising inhibitory candidate against virion core protein E11L of monkeypox viruses associated with the recent outbreaks
In the pandemic era of COVID-19, the recent global outbreak of monkeypox virus (MPXV) infections has challenged and is a threat to public health. Infection cases have been reported from various countries such as North Africa, Middle East, Australia, Americas and Europe. We investigated the inhibi...
| Autore principale: | |
|---|---|
| Natura: | Tesi |
| Lingua: | inglese |
| Pubblicazione: |
AUW
2025
|
| Accesso online: | https://repository.auw.edu.bd/handle/123456789/537 |
| _version_ | 1857448961412956160 |
|---|---|
| author | Tasnim, Nishat |
| author_facet | Tasnim, Nishat |
| author_sort | Tasnim, Nishat |
| collection | institutional Repository |
| description | In the pandemic era of COVID-19, the recent global outbreak of monkeypox virus (MPXV)
infections has challenged and is a threat to public health. Infection cases have been reported from
various countries such as North Africa, Middle East, Australia, Americas and Europe. We
investigated the inhibitory potential of 755 phytocompounds from Indian medicinal plants
against the wild-type and mutated (Monkeypox/PT0006/2022, ON585033) MPXV core protein
E11L in the current study. We employed a robust computational approach that included
molecular docking, drug-likeness assessment, and molecular dynamics simulations to evaluate
the therapeutic potential of these phytocompounds. The study included amentoflavone,
agathisflavone, ochnaflavone, parephyllin-B, and kudzu isoflavone B as phytocompounds with
promising inhibitory potential against MPXV core protein E11L. The computational analyses
revealed amentoflavone is the most potent inhibitory candidate. Our findings generate scopes to
endorse the inhibitory potential of these phytocompounds through in vitro and in vivo studies that
could be used to develop therapeutics against monkeypox virus infections. |
| format | Thesis |
| id | 123456789-537 |
| institution | Asian University for Women |
| language | English |
| publishDate | 2025 |
| publisher | AUW |
| record_format | dspace |
| spelling | 123456789-5372026-02-18T06:09:47Z Computational investigation reveals amentoflavone as a promising inhibitory candidate against virion core protein E11L of monkeypox viruses associated with the recent outbreaks Tasnim, Nishat In the pandemic era of COVID-19, the recent global outbreak of monkeypox virus (MPXV) infections has challenged and is a threat to public health. Infection cases have been reported from various countries such as North Africa, Middle East, Australia, Americas and Europe. We investigated the inhibitory potential of 755 phytocompounds from Indian medicinal plants against the wild-type and mutated (Monkeypox/PT0006/2022, ON585033) MPXV core protein E11L in the current study. We employed a robust computational approach that included molecular docking, drug-likeness assessment, and molecular dynamics simulations to evaluate the therapeutic potential of these phytocompounds. The study included amentoflavone, agathisflavone, ochnaflavone, parephyllin-B, and kudzu isoflavone B as phytocompounds with promising inhibitory potential against MPXV core protein E11L. The computational analyses revealed amentoflavone is the most potent inhibitory candidate. Our findings generate scopes to endorse the inhibitory potential of these phytocompounds through in vitro and in vivo studies that could be used to develop therapeutics against monkeypox virus infections. 2025-07-13T06:54:22Z 2025-07-13T06:54:22Z 2025-04 Thesis https://repository.auw.edu.bd/handle/123456789/537 en application/pdf AUW |
| spellingShingle | Tasnim, Nishat Computational investigation reveals amentoflavone as a promising inhibitory candidate against virion core protein E11L of monkeypox viruses associated with the recent outbreaks |
| title | Computational investigation reveals amentoflavone as a promising inhibitory candidate against virion core protein E11L of monkeypox viruses associated with the recent outbreaks |
| title_full | Computational investigation reveals amentoflavone as a promising inhibitory candidate against virion core protein E11L of monkeypox viruses associated with the recent outbreaks |
| title_fullStr | Computational investigation reveals amentoflavone as a promising inhibitory candidate against virion core protein E11L of monkeypox viruses associated with the recent outbreaks |
| title_full_unstemmed | Computational investigation reveals amentoflavone as a promising inhibitory candidate against virion core protein E11L of monkeypox viruses associated with the recent outbreaks |
| title_short | Computational investigation reveals amentoflavone as a promising inhibitory candidate against virion core protein E11L of monkeypox viruses associated with the recent outbreaks |
| title_sort | computational investigation reveals amentoflavone as a promising inhibitory candidate against virion core protein e11l of monkeypox viruses associated with the recent outbreaks |
| url | https://repository.auw.edu.bd/handle/123456789/537 |
| work_keys_str_mv | AT tasnimnishat computationalinvestigationrevealsamentoflavoneasapromisinginhibitorycandidateagainstvirioncoreproteine11lofmonkeypoxvirusesassociatedwiththerecentoutbreaks |