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Polymalic Acid-based Nano Biopolymers for Targeting of Multiple Tumor Markers: An Opportunity for Personalized Medicine?
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Repurposing of FDA Approved Drugs and Neuropep peptides as Anticancer Agents Against ErbB1 and ErbB2

Sunil Kumar Patnaik1, Akey Krishna Swaroop1, Mudavath Ravi Naik2

  • 1Department of Pharmaceutical Chemistry, JSS College of Pharmacy, JSS Academy of Higher Education & Research, The Nilgiris, Tamilnadu, India.

Drug Research
|April 17, 2023
PubMed

Insights

Dual inhibitors targeting ErbB1 and ErbB2 show promise in cancer therapy. Computational analysis identified potent FDA-approved drugs and Neuropep peptides with significant binding affinity for these tyrosine kinases.

Area of Science:

  • Oncology
  • Pharmacology
  • Computational Biology

Background:

  • ErbB1 and ErbB2 are key targets in cancer drug discovery.
  • Developing dual inhibitors is crucial for effective cancer therapy.

Purpose of the Study:

  • To identify potential dual inhibitors of ErbB1 and ErbB2 tyrosine kinases.
  • To evaluate FDA-approved drugs and Neuropep peptides for anticancer activity.

Main Methods:

  • In silico molecular docking using Cytoscape, iGEMDOCK, and HPEPDOCK.
  • Binding energy analysis with DataWarrior software.
  • In vitro MTT anticancer assay for IC50 determination.

Main Results:

  • Eleven FDA-approved drugs and eleven Neuropep peptides exhibited strong 2D interactions and binding energy with ErbB1 and ErbB2.
  • Peptide YSFGL and doxorubicin demonstrated significant IC50 values against A549 and MDA-MB-231 cancer cell lines.
  • Results were compared to the standard drug lapatinib.

Conclusions:

  • Identified FDA-approved drugs and Neuropep peptides as potential dual inhibitors of ErbB1/ErbB2.
  • Peptide YSFGL and doxorubicin show promising in vitro anticancer activity.
  • Computational methods are valuable for discovering novel cancer therapeutics.

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