ArticleIn silico pharmacology2018
Taxifolin as dual inhibitor of Mtb DNA gyrase and isoleucyl-tRNA synthetase: in silico molecular docking, dynamics simulation and in vitro assays.
Article in In silico pharmacology, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers, 1 of them a synthesis that pooled it.
What it found
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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.
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.
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Who cites it
10 citing papers in PubMed, 1 synthesis or guideline pooled it, 34 citations in OpenAlex.
- Insights into the Pharmacological Effects of Flavonoids: The Systematic Review of Computer Modeling.International journal of molecular sciences · 2022Pooled it
- Omics Reveals the Antibacterial Mechanism of Dihydromyricetin and Vine Tea Extract AgainstMolecules (Basel, Switzerland) · 2026Article
- Modern Developing Directions in the Dihydroquercetin Study.Molecules (Basel, Switzerland) · 2025Review
- Isoleucyl-tRNA synthetase depletion reveals vulnerabilities in Mycobacterium abscessus and Mycobacterium marinum.Communications biology · 2025Article
- Insights into antibacterial design: Computational modeling of eugenol derivatives targeting DNA gyrase.Heliyon · 2024Article
- New Perspectives of Taxifolin in Neurodegenerative Diseases.Current neuropharmacology · 2023Review
- Effects of Quercetin on the Intestinal Microflora of Freshwater Dark SleeperAntioxidants (Basel, Switzerland) · 2022Article
- Promising Antimycobacterial Activities of Flavonoids againstMolecules (Basel, Switzerland) · 2022Review
- Escaping mechanisms of ESKAPE pathogens from antibiotics and their targeting by natural compounds.Biotechnology reports (Amsterdam, Netherlands) · 2022Article
- Potential Anti-Tuberculosis Activity of the Extracts and Their Active Components ofAntibiotics (Basel, Switzerland) · 2020Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
4 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
DNA gyrase and aminoacyl-tRNA synthetases are two essential bacterial enzymes involved in DNA replication, transcription and translation. Flavonoids are plant secondary metabolites with variable phenolic structures. In this study, eight flavonoids structurally similar to quercetin were selected and their ADMET properties were evaluated. Molecular docking and free energy calculations were carried out to examine the binding of these flavonoids to the ATP-binding site and editing domain of DNA gyrase and Isoleucyl-tRNA synthetase, respectively. Taxifolin was found out to be the top lead molecule in both the docking studies with a good number of interactions with the active site amino acids. Further, binding of taxifolin to the proteins was extensively studied using 50 ns molecular dynamics simulation. In vitro anti-tuberculosis activity of taxifolin was evaluated and compared with the standard drugs. Minimal inhibition concentration of taxifolin was found to be ≤ 12.5 μg/ml.
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Registered trials
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.