Home › Research › Risk genes beyond APOE
In Silico Screening and DFT Analysis of Nelumbo nucifera Phytochemicals as Potential BACE-1 Inhibitors for Alzheimer’s disease
Rohit R. Todkar, Pramodkumar J. Shirote, Shrinivas Krishna Mohite. Prospects in Pharmaceutical Sciences, 2025-10-20
Topic: Brain proteins, microglia and lab models
Alzheimer's disease (AD) stands as one of the primary neurological disorders affecting humans. This condition is marked by deterioration of central nervous system function. The enzyme β-secretase (BACE-1) plays a crucial part in AD pathogenesis by initiating the destruction of the amyloid precursor protein (APP). Consequently, BACE-1 has become a significant focus for therapeutic interventions in AD. Nelumbo nucifera phytochemical structures have been virtually scrutinized for the expansion of potent and selective therapeutic compounds. In silico analysis of 24 different phytochemical structures from Nelumbo nucifera have been carried out against the BACE-1 to explore the anti-Alzheimer potential. Anonaine, asimilobine, dehydroanonaine, liriodenine, and roemerin were found to be prominently binding with BACE-1 and found to be more stable in DFT analysis, which indicated physicochemical exploration of the Nelumbo nucifera may result in potent and selective anti-Alzheimer agents.
Cite this study APA, Vancouver, BibTeX · download .bib or .ris
APA 7th
Todkar, R. R., Shirote, P. J., & Mohite, S. K. (2025). In Silico Screening and DFT Analysis of Nelumbo nucifera Phytochemicals as Potential BACE-1 Inhibitors for Alzheimer’s disease. Prospects in Pharmaceutical Sciences. https://doi.org/10.56782/pps.379
Vancouver
Todkar RR, Shirote PJ, Mohite SK. In Silico Screening and DFT Analysis of Nelumbo nucifera Phytochemicals as Potential BACE-1 Inhibitors for Alzheimer’s disease. Prospects in Pharmaceutical Sciences. 2025. doi:10.56782/pps.379.
BibTeX
@article{todkar2025-44a6f0db,
author = {Todkar, Rohit R. and Shirote, Pramodkumar J. and Mohite, Shrinivas Krishna},
title = {{In Silico Screening and DFT Analysis of Nelumbo nucifera Phytochemicals as Potential BACE-1 Inhibitors for Alzheimer’s disease}},
journal = {Prospects in Pharmaceutical Sciences},
year = {2025},
doi = {10.56782/pps.379},
url = {https://doi.org/10.56782/pps.379}
}
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.
Key findings
- Consequently, BACE-1 has become a significant focus for therapeutic interventions in AD.
- Anonaine, asimilobine, dehydroanonaine, liriodenine, and roemerin were found to be prominently binding with BACE-1 and found to be more stable in DFT analysis, which indicated physicochemical exploration of the Nelumbo nucifera may result in potent and selective anti-Alzheimer agents.
Why it matters
This in-silico study screened 24 phytochemicals from Nelumbo nucifera against BACE-1 and found that anonaine, asimilobine, dehydroanonaine, liriodenine and roemerin bound prominently and were stable in DFT analysis. These are computer-based predictions only and no laboratory or clinical testing was reported, so they do not establish a treatment for Alzheimer's disease.
New to this subject? Start with our plain-English guide: Genetics →
Study details
- Evidence strengthLow
How this study scored 34/100
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.
| Component | Points | Why |
|---|---|---|
| Journal tier | 7 / 10 | Tier 3 — peer-reviewed journal (Prospects in Pharmaceutical Sciences) |
| Journal's citation record | 0 / 4 | Prospects in Pharmaceutical Sciences: journal h-index 14 (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 | 4 / 5 | 2025 — within 3 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 | 2 / 7 | Cited 12 times (OpenAlex, 2026-10-10) |
| Citations per year | 2 / 5 | 4.0 citations a year over 3 year(s) since 2025 |
| Impact for its field and year | 3 / 6 | Cited 6.6× 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 | 1 / 4 | Cited 12 times in 2024–2026 (2026 still in progress; OpenAlex) |
| Senior author's track record | 1 / 4 | Last-listed author Shrinivas Krishna Mohite: h-index 19 (OpenAlex, whole career) |
| Institution's track record | 0 / 3 | Shivaji University: institution h-index 228 (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 |
| Total | 34 / 100 | — |
What each of these 20 components measures, and what this score is not →
Read the original
Full text: free to read — OpenAlex lists this copy as free to read: the link above (checked 6 Feb 1020).
Related studies in Risk genes beyond APOE
Also tagged “double-blind”
783 studies in the library carry the topic tag “double-blind”; these are this study's neighbours in a fixed, alphabetical-by-hash tour of them, not the closest in content. All 783 tagged studies.