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Author

Bharath Kumar Chagaleti

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2 papers indexed here

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Oct 2026

Integrated Computational Drug Discovery of Diosgenin‐Based Analogues as PI3K‐Targeted Breast Cancer Inhibitors: QSAR, Molecular Docking, and Molecular Dynamics Insights

Dysregulation of the phosphoinositide 3‐kinase (PI3K) signalling pathway plays a critical role in breast cancer progression, therapy resistance, and poor clinical outcomes, highlighting the need for novel PI3K‐targeted therapeutic agents. This investigation utilized an integrated computational drug discovery framew...

Shubham Dhiman, Bharath Kumar Chagaleti, Kathiravan Muthu Kumaradoss et al. · 0 citations
Oct 2026

DFT-based computational screening of the ability of C60-based nanostructures to adsorb the diethylcyclidine drug.

Dieticyclidine (DTC) is a psychoactive compound for which efficient capture and identification remain analytically relevant. In this study, density functional theory calculations were used to comparatively screen pristine C60 and the substitutionally doped BC59 and SiC59 nanocages as candidate platforms for DTC adsorpt...

Samar O. Aljazzar, J. Al-Humaidi, Y. Mukhrish et al. · 0 citations

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