Investigating the Anti-Angiogenic and Cytotoxic Characteristics of Capparis decidua through Integrated In silico and In vitro Analysis

Abstract

Capparis decidua, an arid-zone indigenous plant, has been traditionally used for various medicinal purposes. It is a medically valued plant that has been reported to possess therapeutic potential. Despite multiple studies on other Capparis species showing anti-inflammatory, antibacterial, and antioxidant effects, Capparis decidua has received little attention for its anti-cancer effectiveness in breast cancer models, with minimal works evaluating its therapeutic value through conventional experimental and computational models. Herein, it was assessed for its anti-angiogenic and cytotoxic potential with a combined application of in vitro, in vivo, and in silico models with reference to its clinical potential in treating breast cancer. Cytotoxicity was determined using the MTT assay on MCF-7 breast cancer cells and the extract demonstrated a dose-dependent inhibitory activity with an IC₅₀ of approximately 1368 µg/mL in this assay. Significantly, its performance was compared against standard chemotherapeutics but although not as potent as 5-fluorouracil or Capecitabine, it showed noteworthy biological activity, especially in terms of the drug's inhibitory activity on angiogenesis. The CAM assay demonstrated that the extract exhibited peak inhibition of angiogenesis at a concentration of 50 µg/egg, yielding an Anti-Angiogenic Index of 62.50. Molecular docking revealed that the compound 6-(1-hydroxy-non-3-enyl) tetrahydropyran-2-one exhibited strong binding affinity for breast cancer-related targets, specifically MDM2 (−10.1887 kcal/mol) and oestrogen receptor (ER) (−10.8640 kcal/mol), suggesting its potential to disrupt critical pathways in cancer progression. The findings indicate that Capparis decidua may be investigated as a novel approach for complementary or alternative medicine in breast cancer treatment. Future endeavours should concentrate on isolating bioactive chemicals, enhancing their efficacy, and substantiating their therapeutic effects through preclinical studies, clinical trials, and research investigations.