Evidence map›Paper›PMID 39602408›Full record

ArticlePloS one2024

Elucidating the monoamine oxidase B inhibitory effect of kaurene diterpenoids from Xylopia aethiopica: An in silico approach.

Funmilayo Gladys Famuyiwa, Rajesh B Patil, Samson Oluwaseyi Famuyiwa, Uduak Ime Olayemi, Esther Aina Olanudun, Bhoomendra A Bhongade, Jaiprakash N Sangshetti, Esther Oluwatosin Shalom, Suvarna N Vakare, Mohammed Sakib Musa and 3 more

RetractedAbstract readRetracted Publication
PubMed Full text at PMC Publisher
In one paragraph

Article in PloS one, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. It has been retracted, and should not be counted. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing papers in PubMed
–field-weighted citation impact
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.

  1. Review
  2. Article
4 · The record

Corrections and comments

5 · Who and what money

Authors and funding

13 authors.

Funmilayo Gladys FamuyiwaDepartment of Pharmacognosy, Faculty of Pharmacy, Obafemi Awolowo University, Ile-Ife, Nigeria.
Rajesh B PatilDepartment of Pharmaceutical Chemistry, Sinhgad Technical Education Society's, Sinhgad College of Pharmacy, Pune, Maharashtra, India.
Samson Oluwaseyi FamuyiwaDepartment of Chemistry, Faculty of Science, Obafemi Awolowo University, Ile-Ife, Nigeria.
Uduak Ime OlayemiDepartment of Chemistry, Faculty of Science, Obafemi Awolowo University, Ile-Ife, Nigeria.
Esther Aina OlanudunDepartment of Industrial Chemistry, Faculty of Science, University of Ilesa, Ilesa, Nigeria.
Bhoomendra A BhongadeDepartment of Pharmaceutical Chemistry, RAK College of Pharmacy, RAK Medical & Health Sciences University, Ras Al Khaimah, United Arab Emirates.
Jaiprakash N SangshettiY. B. Chavan College of Pharmacy, Dr. Rafiq Zakaria Campus, Aurangabad, (MS), India.
Esther Oluwatosin ShalomDepartment of Pharmacognosy, Faculty of Pharmacy, Obafemi Awolowo University, Ile-Ife, Nigeria.
Suvarna N VakareDepartment of Pharmaceutical Chemistry, Sinhgad Technical Education Society's, Sinhgad College of Pharmacy, Pune, Maharashtra, India.
Mohammed Sakib MusaDepartment of Applied Chemistry and Chemical Engineering, University of Chittagong, Chattogram, Bangladesh.ORCID 0009-0006-9892-6793
Abu Tayab MoinDepartment of Genetic Engineering and Biotechnology, Faculty of Biological Sciences, University of Chittagong, Chattogram, Bangladesh.ORCID 0000-0002-2954-3215
Mohammad Helal UddinDepartment of Applied Chemistry and Chemical Engineering, University of Chittagong, Chattogram, Bangladesh.
Kolade Olatubosun FaloyeDepartment of Chemistry, Faculty of Science, Obafemi Awolowo University, Ile-Ife, Nigeria.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Parkinson disease is a neurogenerative disease common in adults and results in different kinds of memory dysfuntions. This study evaluated the monoamine oxidase B (MAO-B) inhibitory potential of kaurane diterpenoids previously isolated from Xylopia aethiopica through comprehensive computational approaches. Molecular docking study and molecular dynamics simulation were used to access the binding mode and interaction of xylopic acid and MAO-B enzyme. The ADMET properties of the phytochemical were evaluated to provide information on its druggability. The molecular docking and molecular dynamics simulation revealed xylopic acid as potential MAO-B inhibitor due to the good binding energy elicited and stability throughout the 100 ns simulation period. The ADMET properties of the ligand showed it as a promising drug candidate. The study recommend further comprehensive in vitro investigation towards the development of xylopic acid as potent MAO-B inhibitor.

Indexed as

Diterpenes, KauraneMolecular Docking SimulationMolecular Dynamics SimulationMonoamine OxidaseMonoamine Oxidase InhibitorsXylopiaComputer SimulationDiterpenesHumansProtein BindingDiterpenesDiterpenes, KauraneMonoamine OxidaseMonoamine Oxidase Inhibitors

Identifiers

PMID39602408
PMCPMC11602026

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

Registered trials

None linked

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.