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Comprehensive Experimental and Computational Characterization of a Phenylacetamide-Based Molecule.

Tugba Agbektas1, Farid N Naghiyev2, Burak Tüzün3

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Biomed Research International
|July 14, 2026
PubMed
Summary

Tetrahydroisoquinoline Derivative M1 shows significant cytotoxic effects against SH-SY5Y neuroblastoma cells. This compound modulates apoptosis, DNA repair genes, and oxidative stress enzymes, indicating potential for neuroblastoma therapy.

Keywords:
ADME/Tbiochemical analysesgene expressionmolecular dockingneuroblastoma cancer

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Area of Science:

  • Medicinal Chemistry
  • Molecular Biology
  • Computational Chemistry

Background:

  • Neuroblastoma is a pediatric cancer with limited treatment options.
  • Tetrahydroisoquinoline derivatives are being explored for therapeutic potential.

Purpose of the Study:

  • To synthesize Tetrahydroisoquinoline Derivative 1 (M1).
  • To evaluate the biological activities and therapeutic potential of M1 in SH-SY5Y neuroblastoma cells.

Main Methods:

  • In silico theoretical calculations using Gaussian software.
  • Assessment of M1 activity against cancer-related proteins (PDB IDs: 2F37, 3PBL, 5WIV).
  • ADME/T analyses for molecule-likeness.
  • MTT assay for cytotoxic activity.
  • RT-PCR for gene expression analysis (apoptosis and DNA repair).
  • Enzyme activity assays (G6PDH, catalase).

Main Results:

  • M1 exhibited maximum cytotoxicity in SH-SY5Y cells after 72 hours.
  • M1 significantly reduced cell viability and modulated G6PDH and catalase activities.
  • M1 altered the expression of key genes involved in apoptosis (MYC, CASP2, BAX, NF-κB1) and DNA repair (TP53, RAD51, BRCA2, MDM2).

Conclusions:

  • Tetrahydroisoquinoline Derivative M1 demonstrates potent cytotoxic activity against neuroblastoma cells.
  • M1 influences oxidative stress pathways and gene expression related to apoptosis and DNA repair.
  • M1 shows promise as a novel therapeutic candidate for neuroblastoma treatment.