Evaluating the
efficacy of myricetin from the stem bark of Syzygium cumini as a regulator in signal
transduction mechanism in breast cancer by in silico approach
Murugesan Viji, Periyasamy Vijayalakshmi and Manikkam Rajalakshmi
Res. J. Biotech.; Vol. 21(2); 20-27;
doi: https://doi.org/10.25303/212rjbt020027; (2026)
Abstract
According to reports, cancer is the leading cause of mortality in the world and
breast cancer tops the charts in second place after lung cancer. In both industrialised
and developing nations, breast cancer continues to be the most prevalent cancer
in women. Out of 9 women, 1 woman is at risk of breast cancer. This study investigates
the anticancer efficacy of myricetin, derived from the stem bark of Syzygium cumini,
on breast cancer targets through in silico analyses. The objectives of the present
study were to predict compliance with Lipinski’s Rule of Five, to evaluate its ADMET
profile and to analyse protein–ligand interactions relevant to breast cancer progression
and apoptosis regulation. The results from the in silico analyses indicated that
myricetin complies with Lipinski’s Rule of Five and exhibits favourable ADMET properties.
Myricetin exhibited a higher binding affinity towards Catalase, CDK4 and Bcl-2,
with binding energies of −9.4, −8.8 and −7.9 kcal/mol, respectively.
Myricetin showed more hydrogen bond interactions with CDK4, Caspase 9 and Bak. This
study provides evidence that myricetin induces apoptosis through both extrinsic
and intrinsic pathways. Myricetin exerts its anti-tumorigenic effects by inducing
apoptosis. Therefore, with more research, the substance may be exploited as a powerful
herbal medicinal molecule to cure breast cancer.
