Page 215 - EJMO-9-3

Eurasian Journal of
Medicine and Oncology FN3K–Nrf2 axis inhibition in breast cancer

Table 2. Docking scores and key interactions of selected hits with FN3K
S. No. Drug name Chemical structure Docking score (kcal/mol) Interacting amino acids
1 Oxaliplatin −9.2 CYS A: 24, ILE A: 25, LYS A: 41, MET A: 51,
Mol wt: 397.2 ASP A: 217, TRP A: 219

2 Ritonavir −8.7 PHE A: 39, GLY A: 221
Mol wt: 720.31

3 Lansoprazole −8.6 CYS A: 24, LYS A: 41, ASP A: 217, TRP A: 219,
Mol wt: 369.08 HIS A: 288

4 Capivasertib −8.1 CYS A: 24, LYS A: 41, ASP A: 217, GLY A: 221,
Mol wt: 428.17 ASN A: 222, ASP A: 234

5 Amiloride −6.9 CYS A: 24, ILE A: 25, SER A: 26, LYS A: 41,
Mol wt: 229.05 GLU A: 55, GLY A: 152, ASN A: 222

6 1-DMF −6.1 GLY A: 221, ASP A: 234
Mol wt: 249.12

Abbreviations: 1-DMF: 1-deoxy-morpholino-D-fructose; Mol wt: Molecular weight.

3.2. In vitro screening studies Table 3. IC values (µg/mL) of selected compounds across
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different cell lines
3.2.1. Half-maximal inhibitory concentration (IC50)
determination and cytotoxicity analysis Compounds MCF-7 T47D BT-474 Vero
1-DMF 125 125 125 >150
The cytotoxic effects of six selected compounds – 1-DMF,
ritonavir, amiloride, lansoprazole, capivasertib, and Ritonavir 125 – 150 125 – 150 125 – 150 >150
oxaliplatin – were assessed across three breast cancer Amiloride 125 – 150 125 – 150 125 – 150 >150
cell lines (MCF-7, T47D, and BT-474) and one non- Lansoprazole 90 – 110 90 – 110 90 – 110 150
malignant Vero cells using the MTT assay. IC values Capivasertib 100 – 125 100 – 125 100 – 125 >150
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were calculated based on the percentage of viable Oxaliplatin 90 – 110 90 – 110 90 – 110 140
cells relative to untreated controls. The IC values Abbreviations: 1-DMF: 1-deoxy-1-morpholino-D-fructose;
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for each compound across the individual cell lines are IC : Half-maximal inhibitory concentration.
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summarized in Table 3.
demonstrated the lowest IC values (90 – 110 µg/mL),
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All tested compounds exhibited concentration- indicating a higher potency against MCF-7, T47D, and
dependent cytotoxicity across the evaluated breast cancer BT-474 cells. These results suggest that both compounds
cell lines. Among them, oxaliplatin and lansoprazole

Volume 9 Issue 3 (2025) 207 doi: 10.36922/EJMO025150114