Data · dataset · 2025
Data related to molecular docking and molecular dynamics of ligands reported for Sinningia aggregata (Gesneriaceae) against protein kinases PKC alpha, delta and MPS1
Listed in REDU - Unicamp Institutional Research Data Repository
Molecular docking and dynamics data of ligands reported from Sinningia aggregata (Gesneriaceae) against PKC alpha, PKC delta, and MPS1 kinases.
Description
These enzymes play key roles in cell signaling and cycle regulation. The computational analysis highlights potential interactions between plant-derived compounds, particularly quinones, and the active sites of these kinases.
Molecular dynamics simulations further assess the stability and binding behavior of these complexes, providing insights into their therapeutic potential.
Links
Where it is published
- Dataverse dataset page redu.unicamp.br/dataset.xhtml?persistentId=doi%3A10.25824%2Fredu%2FTLKQOE ↗
landing page · from redu unicamp br
- DOI doi.org/10.25824/redu/tlkqoe ↗
DOI / persistent id · from redu unicamp br
Catalogue records · 1
- Dataverse API redu.unicamp.br/api/datasets/:persistentId/?persistentId=doi%3A10.25824%2Fredu… ↗
metadata API · from redu unicamp br
Topics
- Stated by source
- Chemistry · Computer and Information Science · Earth and Environmental Sciences · Medicine, Health and Life Sciences
- From keywords
- Chemistry · Earth & Environmental Science · Life Sciences · Medicine & Health
- Inferred from text
- Medicinal and biomolecular chemistry 74%
Provenance · 1 source records, 15 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| REDU - Unicamp Institutional Research Data Repository | doi:10.25824/redu/TLKQOE | 12 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| concepts[field].anzsrc:group:3404 | enrichment · redu unicamp br | taxonomy-embedding@1.1.0 | title+keywords+description (74%) |
| concepts[field].dataverse_subject:chemistry | source · redu unicamp br | connector:redu_unicamp_br@1.0.0 | /subjects |
| concepts[field].dataverse_subject:computer-and-information-science | source · redu unicamp br | connector:redu_unicamp_br@1.0.0 | /subjects |
| concepts[field].dataverse_subject:earth-and-environmental-sciences | source · redu unicamp br | connector:redu_unicamp_br@1.0.0 | /subjects |
| concepts[field].dataverse_subject:medicine-health-and-life-sciences | source · redu unicamp br | connector:redu_unicamp_br@1.0.0 | /subjects |
| concepts[field].local:field:chemistry | mapping · redu unicamp br | connector:redu_unicamp_br@1.0.0 | /subjects |
| concepts[field].local:field:earth-environmental | mapping · redu unicamp br | connector:redu_unicamp_br@1.0.0 | /subjects |
| concepts[field].local:field:life-sciences | mapping · redu unicamp br | connector:redu_unicamp_br@1.0.0 | /subjects |
| concepts[field].local:field:medicine-health | mapping · redu unicamp br | connector:redu_unicamp_br@1.0.0 | /subjects |
| created_date | source · redu unicamp br | connector:redu_unicamp_br@1.0.0 | |
| description | source · redu unicamp br | connector:redu_unicamp_br@1.0.0 | /description |
| publication_date | source · redu unicamp br | connector:redu_unicamp_br@1.0.0 | |
| title | source · redu unicamp br | connector:redu_unicamp_br@1.0.0 | /name |
| updated_date | source · redu unicamp br | connector:redu_unicamp_br@1.0.0 | |
| version_label | source · redu unicamp br | connector:redu_unicamp_br@1.0.0 |