Article3 Biotech2024
Discovery of novel anticancer flavonoids as potential HDAC2 inhibitors: virtual screening approach based on molecular docking, DFT and molecular dynamics simulations studies.
Article in 3 Biotech, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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Who cites it
10 citing papers in PubMed, 22 citations in OpenAlex.
- Systems Biology and Atomistic Simulations Reveal Multi-Target Modulation of Alzheimer's Disease and Type 2 Diabetes byInternational journal of molecular sciences · 2026Article
- Targeting IDH-driven Oncometabolism in glioblastoma: a computational approach for the identification of potential inhibitors.Frontiers in bioinformatics · 2026Article
- Determination of the Inhibitory Potential of Chalcones on Myeloperoxidase Enzyme Activity: In vitro and Molecular Docking Studies.Cell biochemistry and biophysics · 2025Article
- Structure-guided identification of mitogen-activated protein kinase-1 inhibitors towards anticancer therapeutics.PloS one · 2025Article
- Galangin promotes apoptosis by upregulating the pro-apoptotic gene BAX in triple-negative breast cancer.Journal of the Egyptian National Cancer Institute · 2024Article
- Structure-based pharmacophore modeling for precision inhibition of mutant ESR2 in breast cancer: A systematic computational approach.Cancer medicine · 2024Article
- In silico exploration of PD-L1 binding compounds: Structure-based virtual screening, molecular docking, and MD simulation.PloS one · 2024Article
- Exploration of alpha-glucosidase inhibitors: A comprehensive in silico approach targeting a large set of triazole derivatives.PloS one · 2024Article
- Article
- Elucidating the monoamine oxidase B inhibitory effect of kaurene diterpenoids from Xylopia aethiopica: An in silico approach.PloS one · 2024Article
Corrections and comments
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Authors and funding
7 authors at 5 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Virtual screening of a library of 329 flavonoids obtained from the NPACT database was performed to find out potential novel HDAC2 inhibitors. Eleven out of 329 selected flavonoids were screened based on molecular docking studies, as they have higher binding affinities than the standard drugs vorinostat and panobinostat. All screened compounds occupying the catalytic site of HDAC2 showed important molecular interaction with Zn Supplementary Information: The online version contains supplementary material available at 10.1007/s13205-023-03912-5.
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