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Structural and functional changes of catalase through interaction with Erlotinib hydrochloride. Use of Chou's 5-steps

Somaye Shahraki1, Hojat Samareh Delarami1, Mahdiye Poorsargol1

  • 1Department of Chemistry, University of Zabol, Zabol, Iran.

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|May 26, 2021
PubMed

Insights

Erlotinib hydrochloride (Erlo) drug interaction with bovine liver catalase (BLC) was studied. Erlo significantly reduces BLC enzyme activity, indicating potential side effects from cancer drug interactions with biological molecules.

Area of Science:

  • Biochemistry
  • Pharmacology
  • Molecular Biology

Background:

  • Erlotinib hydrochloride (Erlo) is a cancer therapeutic.
  • Drug interactions with biomacromolecules can alter their structure and function.
  • Understanding these interactions is crucial for predicting drug side effects.

Purpose of the Study:

  • To investigate the interaction between Erlotinib hydrochloride and bovine liver catalase.
  • To elucidate the molecular mechanisms underlying this interaction.
  • To assess the impact of Erlotinib on catalase enzymatic activity.

Main Methods:

  • Spectroscopic techniques (UV-Vis, CD, fluorescence spectroscopy).
  • Computational methods (molecular docking, molecular dynamics simulations).
  • Enzyme activity assays.

Main Results:

  • Erlotinib hydrochloride significantly inhibited bovine liver catalase activity by 58.7% at 0.5 × 10⁻⁷ M.
  • Spectroscopic data indicated a static quenching mechanism driven by hydrogen bonds and Van der Waals forces.
  • Changes in secondary structure (α-helix content) and microenvironment of BLC were observed.
  • Computational modeling confirmed a stable binding interaction consistent with experimental findings.

Conclusions:

  • Erlotinib hydrochloride interacts with bovine liver catalase, leading to decreased enzymatic function.
  • The interaction involves structural modifications in catalase.
  • Combined experimental and theoretical approaches provide a comprehensive understanding of drug-enzyme interactions.
Keywords:
CatalaseErlotinib HydrochlorideInteraction Mechanism

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