Data · collection · 2015
Molecular docking studies and in vitro cholinesterase enzyme inhibitory activities of chemical constituents of Garcinia hombroniana
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Garcinia species are reported to possess antimicrobial, anti-inflammatory, anticancer, anti-HIV and anti-Alzheimer's activities.
Description
This study aimed to investigate the in vitro cholinesterase enzyme inhibitory activities of garcihombronane C ( 1 ), garcihombronane F ( 2 ), garcihombronane I ( 3 ), garcihombronane N ( 4 ), friedelin ( 5 ), clerosterol ( 6 ), spinasterol glucoside ( 7 ) and 3β-hydroxy lup-12,20(29)-diene ( 8 ) isolated from Garcinia hombroniana , and to perform molecular docking simulation to get insight into the binding interactions of the ligands and enzymes.
The cholinesterase inhibitory activities were evaluated using acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) enzymes. In this study, compound 4 displayed the highest concentration-dependent inhibition of both AChE and BChE. Docking studies exhibited that compound 4 binds through hydrogen bonds to amino acid residues of AChE and BChE.
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The calculated docking and binding energies also supported the in vitro inhibitory profiles of IC 50 . In conclusion, garcihombronanes C, F, I and N ( 1 – 4 ) exhibited dual and moderate inhibitory activities against AChE and BChE.
Links
Where it is published
- Repository landing page tandf.figshare.com/collections/Molecular_docking_studies_and_i_in_vitro_i_choline… ↗
landing page · from DataCite
- Repository landing page tandf.figshare.com/collections/Molecular_docking_studies_and_i_in_vitro_i_choline… ↗
landing page · from DataCite
- DOI doi.org/10.6084/m9.figshare.c.2003267.v1 ↗
DOI / persistent id · from DataCite
- DOI doi.org/10.6084/m9.figshare.c.2003267 ↗
DOI / persistent id · from DataCite
Documentation and papers
Catalogue records · 4
- DataCite API api.datacite.org/dois/10.6084/m9.figshare.c.2003267.v1 ↗
metadata API · from DataCite
- DataCite API api.datacite.org/dois/10.6084/m9.figshare.c.2003267 ↗
metadata API · from DataCite
- DataCite Commons commons.datacite.org/doi.org/10.6084/m9.figshare.c.2003267 ↗
catalogue entry · from DataCite
- DataCite Commons commons.datacite.org/doi.org/10.6084/m9.figshare.c.2003267.v1 ↗
catalogue entry · from DataCite
Topics
- Stated by source
- Biological sciences · Biological sciences · Clinical medicine · Clinical medicine
- From keywords
- Cancer · Cancer · Chemistry · Chemistry · Life Sciences · Life Sciences
- Inferred from text
- Simulation 75%
Provenance · 2 source records, 18 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| DataCite | 10.6084/m9.figshare.c.2003267 | 15 d ago | JSON v1 |
| DataCite | 10.6084/m9.figshare.c.2003267.v1 | 15 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · DataCite | connector:datacite@1.0.0 | /data/attributes/rightsList |
| concepts[disease].local:disease:cancer | mapping · DataCite | vocabulary-mapper@1.0.0 | keywords['Cancer'] |
| concepts[disease].local:disease:cancer | mapping · DataCite | vocabulary-mapper@1.0.0 | keywords['Cancer'] |
| concepts[field].fos:biological-sciences | source · DataCite | connector:datacite@1.0.0 | |
| concepts[field].fos:biological-sciences | source · DataCite | connector:datacite@1.0.0 | |
| concepts[field].fos:clinical-medicine | source · DataCite | connector:datacite@1.0.0 | |
| concepts[field].fos:clinical-medicine | source · DataCite | connector:datacite@1.0.0 | |
| concepts[field].local:field:chemistry | mapping · DataCite | vocabulary-mapper@1.0.0 | keywords['Chemistry'] |
| concepts[field].local:field:chemistry | mapping · DataCite | vocabulary-mapper@1.0.0 | keywords['Chemistry'] |
| concepts[field].local:field:life-sciences | mapping · DataCite | vocabulary-mapper@1.0.0 | keywords['Biological Sciences'] |
| concepts[field].local:field:life-sciences | mapping · DataCite | vocabulary-mapper@1.0.0 | keywords['Biological Sciences'] |
| concepts[method].local:method:simulation | enrichment · DataCite | keyword-concept-rules@1.0.0 | title+description (75%) |
| created_date | source · DataCite | connector:datacite@1.0.0 | |
| description | source · DataCite | connector:datacite@1.0.0 | /data/attributes/descriptions |
| license | source · DataCite | connector:datacite@1.0.0 | /data/attributes/rightsList |
| publication_date | source · DataCite | connector:datacite@1.0.0 | /data/attributes/dates |
| title | source · DataCite | connector:datacite@1.0.0 | /data/attributes/titles/0/title |
| updated_date | source · DataCite | connector:datacite@1.0.0 |