Author

S. Arulsamy

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Oct 2026

Decoding the Molecular Target Landscape of Chalcones: An Integrated Cheminformatics Analysis Using PubChem Patent Data, Protein Target Profiling, and Bioassay Activity Mapping.

BACKGROUND Chalcones are α,β-unsaturated ketone scaffolds with broad documented bioactivity. No prior study has simultaneously integrated structural validation, PAINS assessment, chemical-space clustering, human-target classification, bioassay hit-rate benchmarking, and patent analysis within a single computational fra...

S. Arulsamy, Kiruthiga Natarajan, S. K. Krishnan et al. · Current Drug Targets · 0 citations

Oct 2026

Evaluation of Murrayanine's Anticancer Potential in Breast Cancer: Integrative Computational, In Vitro, and Nanoparticle Delivery Approaches.

Breast cancer continues to be a major threat to women's health on a global scale. Innovative treatments that are effective and well-tolerated are greatly needed. Nature-derived compounds, such as phytochemicals, have gained widespread interest owing to their diverse anti-tumor actions on cancer cells. Murrayanine, foun...

Yue Di, Xin-Cheng Hu, Jin-Dong Dai et al. · Journal of Steroid Biochemis... · 0 citations