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In silico structure-based multi-targeted molecular docking analysis of ginkgo biloba phytocompounds against Alzheimer’s disease associated proteins
Anli Dino A, Baskaran Sangeetha, Varnika S. In Silico Research in Biomedicine, 2026-01-01
Topic: Brain proteins, microglia and lab models
Alzheimer disease (AD) is a multi-factorial neurodegenerative disease that is characterized by accumulation of amyloid-beta (Aβ), protein aggregation and progressive neuronal dysfunction. Some of the key proteins that are involved in the molecular pathways of AD include amyloid precursor protein (APP), neprilysin (NEP) and alpha-synuclein (SNCA). In the current study, the selected phytochemicals of Ginkgo biloba: amentoflavone, proanthocyanidin, quercetin, sciadopitysin and stigmasterol were tested using molecular docking to explore their in-silico binding characteristics with these targets. The structure of the proteins in 3D was retrieved in the Protein Data Bank and was ready to undergo docking. AutoDock Vina was used to perform molecular docking and analyze protein-ligand interactions with Discovery Studio Visualizer. In the case of APP, the docking region was defined at the β-secretase cleavage-proximal region of the ectodomain, which is structurally relevant. It should be mentioned that APP is a substrate protein and does not have a catalytic active site. NEP and SNCA docking was done at their respective functional sites. The findings reveal that the selected phytochemicals demonstrate good binding interactions with the target proteins, with amentoflavone having a relatively high binding affinity to APP. Analysis of interaction showed that hydrogen bonding and hydrophobic contacts were found in the specified binding areas. Such conclusions are founded entirely on a computational analysis and are to be viewed as hypothesis-generating. The experiment does not determine biological activity or Computational potential. The interactions need to be further experimentally validated by in vitro and in vivo studies to determine the functional relevance of these interactions.
Key findings
- Analysis of interaction showed that hydrogen bonding and hydrophobic contacts were found in the specified binding areas.
Why it matters
Using molecular docking, several Ginkgo biloba phytocompounds showed good binding interactions with APP, neprilysin and alpha-synuclein, with amentoflavone binding relatively strongly to APP. This is an in-silico study only and provides no evidence of clinical benefit.
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Study details
- Evidence strengthLow
How this study scored 27/100
Published in a peer-reviewed journal. Scored zero for study design, sample size, effect reported, studied in people and randomised / blinded because the record does not state it. We have no data on senior author's track record, so that was left out: it earned 26 of the 96 points we could judge it on, which is 27 out of 100.
| Component | Points | Why |
|---|---|---|
| Journal tier | 7 / 10 | Tier 3 — peer-reviewed journal (In Silico Research in Biomedicine) |
| Journal's citation record | 0 / 4 | In Silico Research in Biomedicine: journal h-index 10 (OpenAlex, 2026-10-29) |
| Study design | 0 / 12 | No study design recorded — scores zero, not guessed (not stated in the record — scored 0) |
| Strength of evidence | 1 / 5 | Rated “low” in our summary |
| Peer-review validation | 10 / 10 | Peer-reviewed. Published as an article in a named peer-reviewed journal. |
| How recent | 5 / 5 | 2026 — within 1 year(s) of the newest study here |
| Sample size | 0 / 4 | Participant count not stated — scores zero (not stated in the record — scored 0) |
| Effect reported | 0 / 3 | No effect size reported — scores zero (not stated in the record — scored 0) |
| Studied in people | 0 / 3 | Not stated whether this was studied in people — scores zero (not stated in the record — scored 0) |
| Randomised / blinded | 0 / 2 | No randomisation or blinding stated — scores zero (not stated in the record — scored 0) |
| Times cited | 0 / 7 | Cited 0 times (OpenAlex, 2026-10-10) |
| Citations per year | 0 / 5 | 0.0 citations a year over 2 year(s) since 2026 |
| Impact for its field and year | 0 / 6 | Cited 0.0× the average for papers of its field and year (OpenAlex FWCI) |
| Cited by studies here | 0 / 6 | No other study in this library cites it |
| Still being cited | 0 / 4 | Cited 0 times in 2024–2026 (2026 still in progress; OpenAlex) |
| Senior author's track record | — / 4 | OpenAlex's profile for last-listed author Varnika S holds only 1 work(s), too few to judge a track record — left out of this score |
| Institution's track record | 0 / 3 | St. Joseph’s College of Engineering: institution h-index 108 (OpenAlex) |
| Multi-centre collaboration | 0 / 3 | OpenAlex lists 1 institution(s) in 1 country — scores zero (affiliation lists can be incomplete) |
| Indexed in PubMed | 1 / 2 | Not in PubMed, but has a DOI |
| Free to read | 2 / 2 | Free to read |
| Points | 26 / 96 | Scored on 19 of 20 parts. We have no data for the rest, so they are left out: 26 of the 96 points we could judge it on is 27 out of 100. |
| Total | 27 / 100 | — |
What each of these 20 components measures, and what this score is not →
Read the original
- DOI: 10.1016/j.insi.2026.100411
- Original source →
- Free full text: In Silico Research in Biomedicine →
Full text: free to read — OpenAlex lists this copy as free to read: the link above (checked 6 Feb 1020).
Cite this study APA, Vancouver, BibTeX · download .bib or .ris
Built from the record alzhub holds for this paper, not looked up. Volume, issue and page numbers are not held in the record. Check the citation against the original before you use it.
APA 7th
Anli Dino, A., Sangeetha, B., & Varnika, S. (2026). In silico structure-based multi-targeted molecular docking analysis of ginkgo biloba phytocompounds against Alzheimer’s disease associated proteins. In Silico Research in Biomedicine. https://doi.org/10.1016/j.insi.2026.100411
Vancouver
Anli Dino A, Sangeetha B, Varnika S. In silico structure-based multi-targeted molecular docking analysis of ginkgo biloba phytocompounds against Alzheimer’s disease associated proteins. In Silico Research in Biomedicine. 2026. doi:10.1016/j.insi.2026.100411.
BibTeX
@article{anlidino2026-8d167666,
author = {Anli Dino, A. and Sangeetha, Baskaran and Varnika, S.},
title = {{In silico structure-based multi-targeted molecular docking analysis of ginkgo biloba phytocompounds against Alzheimer’s disease associated proteins}},
journal = {In Silico Research in Biomedicine},
year = {2026},
doi = {10.1016/j.insi.2026.100411},
url = {https://doi.org/10.1016/j.insi.2026.100411}
}
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