Evidence map›Paper›PMID 40653924›Full record

ArticleChemistryOpen2025

In-Silico Exploration of the StreptomeDB Database for Potential Irreversible DprE1 Inhibitors toward Antitubercular Treatment.

Doaa G M Mahmoud, Gamal A H Mekhemer, Mohamed-Elamir F Hegazy, Jabir H Al-Fahemi, Mahmoud A A Ibrahim

Abstract read
In one paragraph

Article in ChemistryOpen, 2025. 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
–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

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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.

3 · Its place in the literature

Who cites it

2 citing papers in PubMed.

  1. Article
  2. 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

5 authors.

Doaa G M MahmoudComputational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, 61519, Egypt.
Gamal A H MekhemerComputational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, 61519, Egypt.
Mohamed-Elamir F HegazyChemistry of Medicinal Plants Department, National Research Centre, 33 El-Bohouth St., Dokki, Giza, 12622, Egypt.
Jabir H Al-FahemiDepartment of Chemistry, Faculty of Science, Umm Al-Qura University, Makkah, 21955, Saudi Arabia.ORCID 0000-0002-8714-882X
Mahmoud A A IbrahimComputational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, 61519, Egypt.ORCID 0000-0003-4819-2040

Funding

Umm Al-Qura University 25UQU4200274GSSR02
6 · The paper itself

Abstract

Tuberculosis (TB) is one of the most fatal infectious diseases. Decaprenylphosphoryl-D-ribose oxidase (DprE1), one of the key enzymes in the synthesis of arabinogalactan and lipoarabinomannan, has become a focal point for anti-TB drug discovery. An investigation of the StreptomeDB database, an extensive collection of natural products from Streptomyces species, yielded 63 nitro-containing compounds with strong potential as masked electrophiles for covalent inhibitors. The compounds are prepared and screened against DprE1. The reliability of AutoDock 4.2.6 software in predicting the covalent docking scores and poses of the DprE1 inhibitors is evaluated. StreptomeDB compounds exhibiting covalent docking scores lower than PBTZ169, the reference inhibitor, against DprE1 (calc. -7.8 kcal mol

Indexed as

Alcohol OxidoreductasesAntitubercular AgentsBacterial ProteinsEnzyme InhibitorsStreptomycesHumansMolecular Docking SimulationMolecular Dynamics SimulationMycobacterium tuberculosisAlcohol OxidoreductasesAntitubercular AgentsBacterial ProteinsDprE1 protein, Mycobacterium tuberculosisEnzyme InhibitorsDprE1irreversible covalent dockingMD simulationsstreptomeDBtuberculosis

Identifiers

PMID40653924
PMCPMC12598795

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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.