Evidence map›Paper›PMID 41329216›Full record

ArticleNaunyn-Schmiedeberg's archives of pharmacology2026

Graph-based and molecular modeling approaches to identify TpiA as a noval therapeutic target in Neisseria meningitidis.

Sana Abdul Ghaffar, Iqra Muneer, Irfan Manzoor, Roba M S Attar, Nada A Alzunaidy, Basmah F Alharbi, Ahmad Almatroudi, Faris Alrumaihi, Khaled S Allemailem, Muhammad Tahir Ul Qamar

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Article in Naunyn-Schmiedeberg's archives of pharmacology, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing 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

1 citing paper in PubMed.

  1. Article
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

10 authors.

Sana Abdul GhaffarDepartment of Bioinformatics and Biotechnology, Government College University, Faisalabad, 38000, Pakistan.
Iqra MuneerDepartment of Bioinformatics and Biotechnology, Government College University, Faisalabad, 38000, Pakistan.
Irfan ManzoorDepartment of Bioinformatics and Biotechnology, Government College University, Faisalabad, 38000, Pakistan.
Roba M S AttarDepartment of Biological Sciences, College of Science, University of Jeddah, Jeddah, 21959, Saudi Arabia.
Nada A AlzunaidyDepartment of Food Science and Human Nutrition, College of Agriculture and Food, Qassim University, Buraydah, 51452, Saudi Arabia.
Basmah F AlharbiDepartment of Basic Health Sciences, College of Applied Medical Sciences, Qassim University, Buraydah, 51452, Saudi Arabia.
Ahmad AlmatroudiDepartment of Medical Laboratories, College of Applied Medical Sciences, Qassim University, Buraydah, 51452, Saudi Arabia.
Faris AlrumaihiDepartment of Medical Laboratories, College of Applied Medical Sciences, Qassim University, Buraydah, 51452, Saudi Arabia.
Khaled S AllemailemDepartment of Medical Laboratories, College of Applied Medical Sciences, Qassim University, Buraydah, 51452, Saudi Arabia.
Muhammad Tahir Ul QamarDepartment of Bioinformatics and Biotechnology, Government College University, Faisalabad, 38000, Pakistan. tahirulqamar@gcuf.edu.pk.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Neisseria meningitidis continues to be a major etiology of invasive meningococcal disease, and the increasing frequency of antimicrobial resistance necessitates the discovery of new therapeutic strategies. This study aimed to identify and prioritize novel, pathogen-specific drug targets and potential natural inhibitors using an integrative computational approach integrating graph-based pangenome analysis, subtractive genomics, and network topology. Pangenome construction and subsequent subtractive genomics of the core genes, followed by network analysis, shortlisted five essential hub proteins (guaA, pykA, tktA, eno, and tpiA), with tpiA, a central glycolytic enzyme with little prior therapeutic exploration, was selected as a promising drug target for subsequent phytochemical screening. Subsequently, phytochemicals from Cinnamomum verum were screened against tpiA in order to identify potential inhibitors. The top three candidate compounds underwent 100 ns molecular dynamics and MM-GBSA analyses, exhibiting lower RMSD and reduced residue fluctuations compared to the apo form, while maintaining stable radius of gyration and SASA. Further insilico validation through MM-GBSA confirmed favorable binding energies with beta-sitosterol (- 21.28 kcal·mol⁻

Indexed as

Anti-Bacterial AgentsBacterial ProteinsNeisseria meningitidisCinnamomum zeylanicumMolecular Docking SimulationMolecular Dynamics SimulationPhytochemicalsAnti-Bacterial AgentsBacterial ProteinsPhytochemicalsCinnamomum verumMM-PBSAMolecular dockingMolecular dynamicsNeisseria meningitidisPangenomeSubtractive genomicsTpiA (triosephosphate isomerase)

Identifiers

PMID41329216

What Socratic holds

Textmetadata
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 Socratic graph.