ArticleFrontiers in chemistry2024
Development of novel CDK9 and CYP3A4 inhibitors for cancer therapy through field and computational approaches.
Article in Frontiers in chemistry, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
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Who cites it
5 citing papers in PubMed.
- Development of potential CDK9 inhibitors through pharmacophore-based virtual screening, 3D-QSAR, molecular docking, MD simulation, and in vitro anticancer evaluation.Scientific reports · 2026Article
- Targeting CDK9 with Molegro Virtual Docker.Methods in molecular biology (Clifton, N.J.) · 2026Article
- In silico-driven identification of potent CDK9 inhibitors through bioisosteric replacement and multi-stage virtual screening.Scientific reports · 2025Article
- Article
- Identification and therapeutic investigation of biomarker genes underpinning hepatocellular carcinoma: anFrontiers in bioinformatics · 2025Article
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Authors and funding
4 authors.
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Abstract
Cyclin-dependent kinase 9 (CDK9) and cytochrome P450 3A4 (CYP3A4) have emerged as promising targets in the development of anticancer drugs, presenting a consistent challenge in the quest for potent inhibitors. CDK9 inhibitors can selectively target fast-growing cancer cells by disrupting transcription elongation, which in turn hinders the production of proteins essential for cell cycle progression and survivaŚ. Understanding how CYP3A4 metabolizes specific chemotherapy drugs allows for personalized treatment plans, optimizing drug dosages according to a patient's metabolic profile. Since many cancer patients undergo combination therapies, and CYP3A4 is vital in drug metabolism, its inhibition or induction by one drug can alter the plasma levels of others, potentially leading to treatment failure or increased toxicity. Therefore, managing CYP3A4 activity is critical for effective cancer treatment. Employing a range of computational methodologies, this study systematically investigated the binding mechanisms of pyrimidine derivatives against CDK9 and CYP3A4. The field-based model demonstrated high
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