Author

A. Mahesh

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Jul 2026

Deciphering the multi-target anticancer potential of β-sitosterol in breast cancer through integrated computational approaches

The results suggest that β-sitosterol acts on multiple targets in breast cancer and identify PGR, a target not strongly favored by docking alone, as an important therapeutic target revealed through extended molecular dynamics simulation.

Alma Khan, Srinivas Ganjipete, Prabu Kumar Seetharaman et al. · Comput. Biol. Chem. · 0 citations

Jul 2026

In Silico Evaluation of 3,4-Dihydropyrimidin-2(1H)-Ones as Potential Antioxidant Agents: Molecular Docking and ADME/T Studies

The present study demonstrates that DHPM derivatives, specifically DHPM 22, may represent a promising lead for the development of new antioxidant derivatives, and further experimental studies are recommended to confirm their biological activities and therapeutic potential.

Chanda Ranjan, A. Mahesh, B. C. et al. · Current Computer - Aided Dru... · 0 citations