First-Principles Modeling of Nitazoxanide Analogues as Prospective PFOR-Targeted Antibacterials.

Huda Alqahtani, Islam Gomaa, Ahmed Refaat, M S A Mansour, Raiedhah A Alsaiari, Moustafa A Rizk

Abstract read

In one paragraph

Article in International journal of molecular sciences, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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0citing 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

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

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0 citing papers in PubMed.

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4 · The record

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5 · Who and what money

Authors and funding

6 authors.

Huda AlqahtaniDepartment of Chemistry, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia.

Islam GomaaNanotechnology Research Centre (NTRC), The British University in Egypt (BUE), Suez Desert Road, Cairo 11837, Egypt.ORCID 0000-0003-3290-6635

Ahmed RefaatSpectroscopy Department, National Research Centre, 33 El-Bohouth St., Dokki, Giza 12622, Egypt.ORCID 0000-0002-2369-9315

M S A MansourChemistry Department, Faculty of Science, Cairo University, Giza 12613, Egypt.ORCID 0009-0008-2224-2218

Raiedhah A AlsaiariDepartment of Chemistry, College of Science and Art, Najran University, Najran P.O. Box 1988, Saudi Arabia.ORCID 0000-0002-0735-3162

Moustafa A RizkDepartment of Chemistry, College of Science and Art, Najran University, Najran P.O. Box 1988, Saudi Arabia.ORCID 0000-0002-4482-2992

Funding

Najran University Growth Funding Program grant code (NU/GP/SERC/13/264-3).

6 · The paper itself

Abstract

Pyruvate:ferredoxin oxidoreductase (PFOR) is a key Achilles' heel in anaerobic pathogens. We integrate electronic-structure calculations (DFT), cheminformatic QSAR metrics, and residue-resolved docking to distill a concise "recognition code" and translate it into practical design rules. Using nitazoxanide (Nita; ΔG

Indexed as

Anti-Bacterial AgentsThiazolesModels, MolecularMolecular Docking SimulationNitro CompoundsQuantitative Structure-Activity RelationshipAnti-Bacterial AgentsnitazoxanideNitro CompoundsThiazolesdensity functional theory (DFT)drug designmolecular dockingnitazoxanidepyruvate:ferredoxin oxidoreductase (PFOR)QSARtizoxanide

Identifiers

PMID41373729

DOI10.3390/ijms262311578

PMCPMC12691758

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LicenceCC BY

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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.