ArticleFrontiers in pharmacology2023
Analysis of some flavonoids for inhibitory mechanism against cancer target phosphatidylinositol 3-kinase (PI3K) using computational tool.
Article in Frontiers in pharmacology, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.
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16 citing papers in PubMed, 31 citations in OpenAlex.
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- Discovery of indole- and quinolone-based inhibitors of the mTOR/Akt/Pi3K pathway for the potential treatment of autism and certain types of cancer.RSC medicinal chemistry · 2026Article
- Unveiling the multitarget anticancer potential of Cochlospermum religiosum: phytochemical profiling, molecular docking, and in vitro/in vivo validation.Daru : journal of Faculty of Pharmacy, Tehran University of Medical Sciences · 2026Article
- Deciphering Pharmacological Targets of Plumbagin in Cisplatin-resistant Ovarian Cancer Model usingCurrent pharmaceutical design · 2026Article
- Antitumor Activity of Isalpinin fromMolecules (Basel, Switzerland) · 2025Article
- Targeting Nudix Hydrolase 5 with Bioactive Flavonoids: Molecular Dynamics and Docking Studies for Breast Cancer Therapy.Cell biochemistry and biophysics · 2025Article
- Effects of Naringenin (NG) as an Anti- Proliferative and Anti-Apoptotic Factor on ER Alpha and ER Beta in PCOS.Advanced biomedical research · 2025Article
- Anticancer Drug Discovery from Natural Compounds Targeting PI3K/AKT/mTOR Signaling Pathway.Current medicinal chemistry · 2025Review
- Targeting miRNA with flavonoids: unlocking novel pathways in cardiovascular disease management.Frontiers in pharmacology · 2025Review
- Assessing the biomedical applicability of biogenically synthesized AuNPs using Salvia splendens extract.PloS one · 2025Article
- Structure-guided identification of mitogen-activated protein kinase-1 inhibitors towards anticancer therapeutics.PloS one · 2025Article
- Unveiling bioactive compounds in kola nut seeds: GC-MS identification and computational analysis for anticancer potential.Frontiers in nutrition · 2025Article
- Synergistic Mechanisms of Selected Polyphenols in Overcoming Chemoresistance and Enhancing Chemosensitivity in Colorectal Cancer.Antioxidants (Basel, Switzerland) · 2024Review
- Computational insights into the stereo-selectivity of catechins for the inhibition of the cancer therapeutic target EGFR kinase.Frontiers in pharmacology · 2023Article
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Authors and funding
7 authors at 2 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Cancer has been one of the leading causes of mortality worldwide over the past few years. Some progress has been made in the development of more effective cancer therapeutics, resulting in improved survival rates. However, the desired outcome in the form of successful treatment is yet to be achieved. There is high demand for the development of innovative, inexpensive, and effective anticancer treatments using natural resources. Natural compounds have been increasingly discovered and used for cancer therapy owing to their high molecular diversity, novel biofunctionality, and minimal side effects. These compounds can be utilized as chemopreventive agents because they can efficiently inhibit cell growth, control cell cycle progression, and block several tumor-promoting signaling pathways. PI3K is an important upstream protein of the PI3K-Akt-mTOR pathway and a well-established cancer therapeutic target. This study aimed to explore the small molecules, natural flavonoids, viz. quercetin, luteolin, kaempferol, genistein, wogonin, daidzein, and flavopiridol for PI3Kγ kinase activity inhibition. In this study, the binding pose, interacting residues, molecular interactions, binding energies, and dissociation constants were investigated. Our results showed that these flavonoids bound well with PI3Kγ with adequate binding strength scores and binding energy ranging from (-8.19 to -8.97 Kcal/mol). Among the explored ligands, flavopiridol showed the highest binding energy of -8.97 Kcal/mol, dock score (-44.40), and dissociation constant term,
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