Evidence map›Paper›PMID 40289350›Full record

ArticleAnti-cancer agents in medicinal chemistry2025

Identification of Flavonoid-based Hypoxia-inducible Factor-2 Alpha Inhibitors for the Treatment of Breast Cancer-

Shahinaz, Mursaleen Baba, Ravi Gor, Chandrasudan Ramamurthy, Habeeb Shaik Mohideen, Satish Ramalingam, Thangavel Mahalingam Vijayakumar

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Article in Anti-cancer agents in medicinal chemistry, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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4 · The record

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5 · Who and what money

Authors and funding

7 authors.

ShahinazDepartment of Pharmacy Practice, SRM Institute of Science and Technology, Kattankulathur, Tamil Nadu, 603203, India.
Mursaleen BabaDepartment of Genetic Engineering, School of Bioengineering, Bioinformatics and Entomoinformatics Lab, SRM Institute of Science and Technology, Kattankulathur, Tamil Nadu, 603203, India.
Ravi GorDepartment of Occupational and Environmental Health, The University of Oklahoma Health Sciences, Oklahoma City, OK 73104, USA.
Chandrasudan RamamurthyDepartment of Genetic Engineering, School of Bioengineering, SRM Institute of Science and Technology, Kattankulathur, Tamil Nadu, 603203, India.
Habeeb Shaik MohideenDepartment of Genetic Engineering, School of Bioengineering, Bioinformatics and Entomoinformatics Lab, SRM Institute of Science and Technology, Kattankulathur, Tamil Nadu, 603203, India.
Satish RamalingamDepartment of Genetic Engineering, School of Bioengineering, SRM Institute of Science and Technology, Kattankulathur, Tamil Nadu, 603203, India.
Thangavel Mahalingam VijayakumarDepartment of Pharmacy Practice, SRM Institute of Science and Technology, Kattankulathur, Tamil Nadu, 603203, India.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

backgroundBreast cancer (BC) is a common malignancy that poses a serious threat to women's health. The hypoxic tumor microenvironment in BC promotes drug resistance, making hypoxia-targeted therapies crucial. Targeting hypoxia-inducible factors (HIFs), particularly HIF-2α, has emerged as a promising approach to inhibit tumor growth and improve response to chemotherapy and radiotherapy. However, further research is required to fully understand the role of HIF-2α to develop more effective treatments for BC.

aimsThe aim of this study is to identify phytochemicals that target HIF-2α and evaluate their effects on the MCF-7 breast cancer cell line under hypoxic conditions.

methodsMolecular docking identified phytochemicals targeting HIF-2α, with high-affinity compounds undergoing stability evaluation via GROMACS molecular dynamics simulations. ADMET and toxicity assessments were performed using SwissADME and ProTox-3.0.

resultsMolecular docking revealed that naringin (-8.2 Kcal/mol) and morin (-7.1 Kcal/mol) showed better binding affinity than the standard drug, belzutifan (-7.7 Kcal/mol). Dynamic simulations, including RMSD, RMSF, Hbond interactions, Rg, SASA, and PE, confirmed their strong binding potential. Morin, in particular, demonstrated more H-bond interactions and met Lipinski's Rule of Five, making it a promising candidate for in vitro studies. It reduced cell viability with an IC50 of 118 μM and significantly downregulated HIF-2α-associated genes.

conclusionMorin demonstrated promising anti-cancer activity under hypoxic conditions by inhibiting HIF-2α in the hypoxia signaling pathway.

Indexed as

Antineoplastic AgentsBasic Helix-Loop-Helix ProteinsBreast NeoplasmsFlavonoidsCell ProliferationCell SurvivalDose-Response Relationship, DrugDrug Screening Assays, AntitumorEndothelial PAS Domain-Containing Protein 1FemaleHumansMCF-7 CellsMolecular Docking SimulationMolecular StructureStructure-Activity RelationshipTumor Cells, CulturedAntineoplastic AgentsBasic Helix-Loop-Helix ProteinsEndothelial PAS Domain-Containing Protein 1Flavonoidsbreast cancerhypoxiahypoxia-inducible factorHypoxia-inducible factor-2αMCF-7 cell linemolecular dockingmorinphytochemicals.

Identifiers

PMID40289350

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