ArticleBioinformation2020
Molecular docking analysis of HER-2 inhibitor from the ZINC database as anticancer agents.
Article in Bioinformation, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
What it found
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Who cites it
11 citing papers in PubMed.
- Explainable Artificial Intelligence (XAI) and Molecular Modeling Techniques to Discover Putative HER2 Inhibitors.International journal of molecular sciences · 2026Article
- Laser-Induced Dimeric Photoproducts of Chlorpromazine: LC-MS Identification and Molecular Docking Evidence of Enhanced Anticancer Potential.International journal of molecular sciences · 2025Article
- Characterization of soil-derived Bacillus subtilis metabolites against breast cancer: In vitro and in silico studies.Saudi pharmaceutical journal : SPJ : the official publication of the Saudi Pharmaceutical Society · 2025Article
- Phytochemical analysis, physicochemical, pharmacokinetic properties and molecular docking studies of bioactive compounds inIn silico pharmacology · 2024Article
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- Article
- Molecular docking analysis of natural compounds as TNF-α inhibitors for Crohn's disease management.Bioinformation · 2023Article
- Molecular docking analysis of sphingosine kinase 1 inhibitors for cancer management.Bioinformation · 2023Article
- Molecular docking analysis of MCL-1 inhibitors for breast cancer management.Bioinformation · 2023Article
- Molecular docking analysis of KRAS inhibitors for cancer management.Bioinformation · 2023Article
- Insights from the molecular docking analysis of EGFR antagonists.Bioinformation · 2023Article
Corrections and comments
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Authors and funding
8 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The human epidermal growth factor (HER2) is a transmembrane receptor that is highly expressed in breast cancer and in different other cancers. Therefore, it is of interest to identify the new HER2 inhibitors from a selected 300 compounds in the ZINC database. The top two hit compounds (ZINC000014780728 (-11.0 kcal/mol) and ZINC000014762512 (-10.8 kcal/mol)) showed a high affinity with HER2 relative to the reference compound (lapatinib (-10.2 kcal/mol)) for further consideration.
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Registered trials
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