ArticlePharmaceuticals (Basel, Switzerland)2022
A Combination of Pharmacophore-Based Virtual Screening, Structure-Based Lead Optimization, and DFT Study for the Identification of
Article in Pharmaceuticals (Basel, Switzerland), 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
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
6 citing papers in PubMed.
- Microwave-Assisted Synthesis of Imidazole-Based Chalcones: Modulating Antimicrobial Activity Through Alkoxy Substitutions.Antibiotics (Basel, Switzerland) · 2026Article
- Phytochemical Assessment, Evaluation of Antioxidant and Antibacterial Properties, and Molecular Docking to Elucidate the Regulation of Bacterial Biofilm Formation in an Herbal Formulation for the Treatment of Abscesses.International journal of molecular sciences · 2026Article
- Special Issue "Drug Candidates for the Treatment of Infectious Diseases".Pharmaceuticals (Basel, Switzerland) · 2023Article
- Human microbiomes in cancer development and therapy.MedComm · 2023Review
- Down-regulation of β-lactam antibiotics resistance and biofilm formation byFrontiers in cellular and infection microbiology · 2023Article
- A Guide to In Silico Drug Design.Pharmaceutics · 2022Review
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
5 authors.
Funding
Abstract
The transcriptional regulator (TcaR) enzyme plays an important role in biofilm formation. Prevention of TcaR-DNA complex formation leads to inhibit the biofilm formation is likely to reveal therapeutic ways for the treatment of bacterial infections. To identify the novel ligands for TcaR and to provide a new idea for drug design, two efficient drug design methods, such as pharmacophore modeling and structure-based drug design, were used for virtual screening of database and lead optimization, respectively. Gemifloxacin (FDA-approved drug) was considered to generate the pharmacophore model for virtual screening of the ZINC database, and five hits, namely ZINC77906236, ZINC09550296, ZINC77906466, ZINC09751390, and ZINC01269201, were identified as novel inhibitors of TcaR with better binding energies. Using structure-based drug design, a set of 7a-7p inhibitors of
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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.