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Molecular docking data of piperine with Bax, Caspase 3, Cox 2 and Caspase 9

Chandrasekaran Kirubhanand1, Jayaraman Selvaraj2, Umapathy Vidhya Rekha3

  • 1Department of Anatomy, All India Institute of Medical Sciences, Nagpur, India.

Bioinformation
|September 5, 2020
PubMed

Insights

Piperine may interact with key apoptotic proteins like Bax, Caspase 3, Cox 2, and Caspase 9, offering potential therapeutic avenues for colorectal cancer (CRC) treatment.

Area of Science:

  • Molecular biology
  • Pharmacology
  • Oncology

Background:

  • Colorectal cancer (CRC) is linked to specific apoptotic signalling proteins.
  • Proteins such as Bax, Caspase 3, Cox 2, and Caspase 9 play roles in CRC.
  • Piperine is a potential drug candidate with therapeutic properties.

Purpose of the Study:

  • To investigate the molecular interactions between piperine and key apoptotic proteins implicated in colorectal cancer.
  • To evaluate the binding affinity and interaction types between piperine and selected apoptotic proteins.

Main Methods:

  • Computational analysis was employed to study molecular interactions.
  • Binding energy, hydrogen bonds, and hydrophobic interactions were assessed.

Main Results:

  • The study documented the binding energy between piperine and apoptotic proteins.
  • Hydrogen bond and hydrophobic interactions were analyzed.
  • Specific interactions suggest potential therapeutic relevance.

Conclusions:

  • Piperine exhibits interactions with apoptotic proteins relevant to colorectal cancer.
  • These findings support further investigation of piperine as a potential therapeutic agent for CRC.
Keywords:
BaxCaspase 3Caspase 9Cox 2Piperinemolecular docking

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