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Updated: Jan 23, 2026

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Cassia-Derived Natural Flavonoids as Multi-Target Candidates for Lung Cancer Therapy: A Network Pharmacology and

Zafer Saad Al Shehri1, Abdur Rehman2

  • 1Department of Medical Laboratory Sciences, College of Applied Medical Sciences, Shaqra University, Shaqra, 19257, Kingdom of Saudi Arabia.

Current Medicinal Chemistry
|January 22, 2026
PubMed
Abstract

Insights

Cassia flavonoids show promise as novel lung cancer treatments by targeting key proteins PTGS2, KIT, and XDH. These natural compounds exhibit favorable binding and safety profiles, suggesting potential for new therapies.

Area of Science:

  • Pharmacology
  • Computational Chemistry
  • Oncology

Background:

  • Lung cancer presents a significant global health challenge with limited treatment options.
  • Natural flavonoids, especially from Cassia species, possess immunomodulatory and anticancer properties.
  • This study explores Cassia flavonoids as potential therapeutics targeting key lung cancer proteins.

Purpose of the Study:

  • To investigate the therapeutic potential of selected Cassia-derived flavonoids against lung cancer.
  • To identify specific protein targets (PTGS2, KIT, XDH) modulated by these flavonoids.
  • To evaluate the binding affinity, stability, and drug-like properties of these compounds.

Main Methods:

  • Selected eight flavonoids based on literature and database bioactivity.
  • Utilized computational tools (SwissTargetPrediction, STITCH, STRING, KEGG) for target prediction and pathway analysis.
  • Performed molecular docking and 100 ns molecular dynamics simulations, followed by ADME/toxicity assessments.

Main Results:

  • Epicatechin and Hispidulin demonstrated strong binding to PTGS2 and XDH, respectively.
  • Chrysoeriol exhibited superior binding affinity to KIT compared to a standard drug.
  • All evaluated flavonoids showed acceptable pharmacokinetic profiles and low predicted toxicity.

Conclusions:

  • Cassia-derived flavonoids are promising multi-target agents for lung cancer therapy.
  • Modulation of PTGS2, KIT, and XDH by these flavonoids warrants further investigation.
  • Favorable interaction and safety profiles support continued experimental and in vivo validation.
Keywords:
Lung cancerflavonoidsintegrated medicinemolecular dockingnetwork pharmacologysimulation.

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