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• W4308179250 abstract "We report a natural product compound isolated from Syzygium polycephalum known as 3,4,3'-tri-O-methylellagic acid (T-EA) as a candidate drug for cancer treatment. The characterization of the isolated T-EA compound was carried out using various spectroscopic methods. The in vitro evaluation showcased the inhibition activity of T-EA towards the T47D and HeLa cell lines with EC50 values of 55.35 ± 6.28 μg mL-1 and 12.57 ± 2.22 μg mL-1, respectively. Meanwhile, the in silico evaluation aimed to understand the interaction of T-EA with enzymes responsible for cancer regulation at the molecular level by targeting the hindrance of cyclin-dependent kinase 9 (CDK9) and sirtuin 1 (SIRT1) enzymes. T-EA showed a binding free energy towards the SIRT1 protein of ΔGbind (MM-GBSA): -30.98 ± 0.25 kcal mol-1 and ΔGbind (MM-PBSA): -24.07 ± 0.30 kcal mol-1, while that of CDK9 was ΔGbind (MM-GBSA): -29.50 ± 0.22 kcal mol-1 and ΔGbind (MM-PBSA): -25.87 ± 0.40 kcal mol-1. The obtained results from this research could be considered as important information on 3,4,3'-tri-O-methylellagic acid as a drug to treat cervical and breast cancers." @default.
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• W4308179250 date "2022-01-01" @default.
• W4308179250 modified "2023-09-30" @default.
• W4308179250 title "3,4,3′-Tri-<i>O</i>-methylellagic acid as an anticancer agent: <i>in vitro</i> and <i>in silico</i> studies" @default.
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• W4308179250 doi "https://doi.org/10.1039/d2ra05246f" @default.
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