ArticleJournal of enzyme inhibition and medicinal chemistry2024
Discovery of novel and potent dual-targeting AXL/HDAC2 inhibitors for colorectal cancer treatment via structure-based pharmacophore modelling, virtual screening, and molecular docking, molecular dynamics simulation studies, and biological evaluation.
Article in Journal of enzyme inhibition and medicinal chemistry, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
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Who cites it
17 citing papers in PubMed, 29 citations in OpenAlex.
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- Virtual screening and experimental validation of small-molecule compounds targeting AR in prostate cancer.Molecular diversity · 2026Article
- Angiotensin‑converting enzyme 2 as an immune and prognostic biomarker in colorectal cancer.Scientific reports · 2026Article
- Antifibrotic Efficacy of Daclatasvir Against Pulmonary Fibrosis: Insights From Network Pharmacology, Molecular Docking, Dynamics, and Preclinical Evaluations.Chemistry & biodiversity · 2026Article
- Varespladib attenuatesRedox report : communications in free radical research · 2025Article
- AARS1 and AARS2: From Protein Synthesis to Lactylation-Driven Oncogenesis.Biomolecules · 2025Review
- Discovery of novel SIRT2 inhibitors with anti-NSCLC activity through multi-virtual screening and biological evaluation.Future medicinal chemistry · 2025Article
- NUCKS1 promotes invasion and metastasis of colorectal cancer by stabilizing HDAC2 and activating AKT.Oncogenesis · 2025Article
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- Anticancer potential and structure activity studies of purine and pyrimidine derivatives: an updated review.Molecular diversity · 2025Review
- Identification of DDR1 Inhibitors from Marine Compound Library Based on Pharmacophore Model and Scaffold Hopping.International journal of molecular sciences · 2025Article
- Emerging regulatory mechanisms and functions of biomolecular condensates: implications for therapeutic targets.Signal transduction and targeted therapy · 2025Review
- Computer-aided Drug Discovery of Epigenetic Modulators in Dual-target Therapy of Multifactorial Diseases.Current topics in medicinal chemistry · 2025Review
- Inhibition of Colorectal Cancer by Perillaldehyde Through Targeting SRD5A1 to Induce Autophagy via the PI3K/AKT Pathway.Drug design, development and therapy · 2025Article
- Unveiling the Therapeutic Potential of Trigonelline: A Promising Approach in Cancer Prevention and Treatment.Anti-cancer agents in medicinal chemistry · 2025Review
- Integrating multi-omics and machine learning to explore the role of amino acid metabolism in intervertebral disk degeneration.Frontiers in neurologyArticle
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Authors and funding
6 authors at 3 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Colorectal cancer (CRC) is one of the most common cancers worldwide. Nowadays, owing to the complex mechanism of tumorigenesis, simultaneous inhibition of multiple targets is an important anticancer strategy. Recent studies have demonstrated receptor tyrosine kinase AXL (AXL) and histone deacetylase 2 (HDAC2) are closely associated with colorectal cancer. Herein, we identified five hit compounds concurrently targeting AXL and HDAC2 using virtual screening. Inhibitory experiments revealed these hit compounds potently inhibited AXL and HDAC2 in the nanomolar range. Among them, Hit-3 showed the strongest inhibitory effects which were better than that of the positive control groups. Additionally, MD assays showed that Hit-3 could bind stably to the AXL and HDAC2 active pockets. Further MTT assays demonstrated that Hit-3 showed potent anti-proliferative activity. Most importantly, Hit-3 exhibited significant
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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.