Evidence map›Paper›PMID 38158488›Full record

ArticleApplied biochemistry and biotechnology2024

Unravelling the Untapped Pharmacological Potential of Plant Molecules as Inhibitors of BACE1: In Silico Explorations for Alzheimer's Disease.

Karunanithi Kalaimathi, Srinivasan Prabhu, Muniappan Ayyanar, Muthu Thiruvengadam, Kadaikunnan Shine, Sitrarasu Vijaya Prabhu, Singamoorthy Amalraj

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Article in Applied biochemistry and biotechnology, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing papers in PubMed
1.6field-weighted citation impact, top 14% of its field
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

2 citing papers in PubMed, 8 citations in OpenAlex.

  1. Review
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4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

7 authors at 4 institutions in 3 countries.

Karunanithi KalaimathiDepartment of Chemistry, Government College of Engineering, Sengipatti, Thanjavur, 613402, Tamil Nadu, India.
Srinivasan PrabhuDivision of Phytochemistry and Drug Design, Department of Biosciences, Rajagiri College of Social Sciences, Cochin, 683104, Kerala, India. prabhusbotany@gmail.com.ORCID http://orcid.org/0000-0001-5839-0345
Muniappan AyyanarPG and Research Department of Botany, AVVM Sri Pushpam College (Autonomous) Poondi (Affiliated to Bharathidasan University), Thanjavur (Dist), 613503, Tamil Nadu, India.
Muthu ThiruvengadamDepartment of Crop Science, College of Sanghuh Life Science, Konkuk University, Seoul, 05029, Korea.
Kadaikunnan ShineDepartment of Botany and Microbiology, College of Science, King Saud University, 11451, Riyadh, Saudi Arabia.
Sitrarasu Vijaya PrabhuPG & Research Department of Biotechnology, Microbiology and Bioinformatics, National College (Autonomous), Tiruchirappalli, 620001, Tamil Nadu, India.
Singamoorthy AmalrajDivision of Phytochemistry and Drug Design, Department of Biosciences, Rajagiri College of Social Sciences, Cochin, 683104, Kerala, India.
Rajagiri Hospital · INBharathidasan University · INKing Saud University · SAKonkuk University · KR

Funding

Research Center of the College of Computer and Information Sciences, King Saud University RSPD2023R696
6 · The paper itself

Abstract

Alzheimer's disease (AD) is an extremely complex, heterogeneous, and multifactorial neurodegenerative disease clinically characterized by progressive memory loss and progressive decline in cognitive function. There is currently no effective treatment for the onset and/or progression of the pathophysiological diseases of AD. The global prevalence of this disease has increased in recent years due to modern lifestyle. Therefore, there is an urgent need to develop a drug with significant neuroprotective potential. Since plant metabolites, especially polyphenols, have important pharmacological properties acting against β-amyloid (Aβ), Tau, neuroinflammation, and oxidative stress, such phytochemicals were selected in the present research. Using the Schrödinger tool (Maestro V.13.6), the drug potency of these metabolites was studied after installation in the highly configured workstation. Among the 120 polyphenols docked, amygdalin showed notable docking values of - 11.2638, followed by eriocitrin (- 10.9569), keracyanin (- 10.7086), and amaroswerin (- 9.48126). The prominent MM-GBSA values of these molecules were - 62.8829, - 52.1914, - 68.6307, and - 63.1074, respectively. The MM-GBSA energy values demonstrated the drug stability of these molecules for β-site amyloid precursor protein-cleaving enzyme 1 (BACE1)-causing AD. In the absorption and distribution assessment, these phytochemicals showed significantly better values than the inhibitors CNP520. The chosen phytochemicals have been demonstrated as non-hepatotoxic; however, the BACE1 inhibitor CNP520 is hepatotoxic. In both the molecular docking and ADMET assessments, these natural chemicals have shown optimism as potential drug candidates for Alzheimer's disease. However, in order to understand the detailed biological metabolism of these compounds in AD, they need to be evaluated in in vivo studies to validate its efficacy.

Indexed as

Alzheimer DiseaseAmyloid Precursor Protein SecretasesAspartic Acid EndopeptidasesMolecular Docking SimulationHumansNeuroprotective AgentsPhytochemicalsPolyphenolsAmyloid Precursor Protein SecretasesAspartic Acid EndopeptidasesBACE1 protein, humanNeuroprotective AgentsPhytochemicalsPolyphenolsADMETAlzheimer diseaseBACE1In silicoPhytochemicals

Identifiers

PMID38158488
OpenAlexW4390430334

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Registered trials

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.