ISSN 2063-5346
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Rory Anthony Hutagalung, Salsabila Rahadini, Rosmalena Rosmalena, Siti Nurbaya, Kristina Simanjuntak, Ernawati Sinaga, Vivitri Dewi Prasasty
» doi: 10.53555/ecb/2023.12.12.269


Background: Bladder cancer remains a significant global health concern, necessitating the exploration of innovative therapeutic strategies. In silico approaches offer a promising avenue for the discovery of potential inhibitors targeting Fibroblast Growth Factor Receptor 3 (FGFR3), a key player in bladder cancer progression. This study focuses on the molecular docking analysis of various compounds, including mitomycin, ligand EVR, and 16 additional ligands, to identify novel inhibitors against FGFR3. Methods: A comprehensive in silico approach was employed, utilizing molecular docking simulations to assess the binding energies and interactions of compounds with the active site of FGFR3. The ligands, including laurifolin, were selected based on their diverse chemical properties and structural characteristics. Comparative analyses were conducted against established compounds to identify potential lead candidates. Results: The molecular docking results revealed substantial variations in binding energies among the tested compounds. Laurifolin exhibited the most favorable binding energy, suggesting a robust interaction with FGFR3. This compound demonstrated superior performance compared to mitomycin and ligand EVR, indicating its potential as a potent inhibitor of FGFR3. The specific structural features of laurifolin likely contribute to its enhanced binding energy, possibly involving hydrogen bonds and hydrophobic interactions within the FGFR3 binding pocket. Conclusion: The identification of laurifolin as a lead candidate underscores its potential as a novel therapeutic agent against FGFR3 in the context of bladder cancer. However, it is crucial to acknowledge that molecular docking results are computational predictions and necessitate validation through in vitro and in vivo studies.

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