October 1, 2025PharmaceuticalsOpen Access

In Silico Design and Computational Elucidation of Hypothetical Resveratrol–Curcumin Hybrids as Potential Cancer Pathway Modulators

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In silico modeling reveals new anticancer hybrids targeting PI3K/Akt/mTOR and STAT3 pathways, suggesting effective alternatives.

Hybrid molecules exert multi-target actions on cancer pathways, showing promise for overcoming pharmacokinetic limitations.
Binding energy of -11.4 kcal/mol for ELRC-LC hybrid against AKT1 indicates strong affinity compared to standard treatments.
Molecular docking and 100 ns MD simulations confirm the stability and binding strength of the designed hybrids.
This computational approach highlights potential new cancer therapeutics needing further in vitro and in vivo validation.

Sazlı et al. (2025) studied this question.

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