Pathogen-driven cancers from a structural perspective: Targeting host-pathogen protein-protein interactions

Emine Sila Ozdemir1, Ruth Nussinov2,3

  • 1Cancer Early Detection Advanced Research Center, Knight Cancer Institute, Oregon Health & Science University, Portland, OR, United States.

Frontiers in Oncology
|March 13, 2023
PubMed

Insights

This review explores host-pathogen interactions (HPIs) and their structural basis. Computational methods, including machine learning and AI, are key to predicting these interactions and developing new therapeutics for diseases like AIDS and COVID-19.

Area of Science:

  • Structural biology
  • Infectious disease research
  • Computational biology

Background:

  • Host-pathogen interactions (HPIs) disrupt host cell homeostasis, leading to diseases such as AIDS, COVID-19, and cancer.
  • Understanding the three-dimensional (3D) structures of host-pathogen complexes is crucial for developing therapeutics and preventive strategies.
  • Structural studies of HPIs face significant challenges.

Purpose of the Study:

  • To review the current state of structural studies on host-pathogen protein-protein interactions (PPIs).
  • To discuss computational approaches for predicting HPIs, including machine learning (ML) and artificial intelligence (AI).
  • To highlight the potential of computational methods in developing clinical therapeutics.

Main Methods:

  • Review of existing literature on structural aspects of HPIs.
  • Overview of computational methods for predicting host-pathogen PPIs.
  • Discussion of machine learning (ML) and artificial intelligence (AI) applications in HPI prediction.

Main Results:

  • Structural studies provide insights into HPI mechanisms.
  • Computational methods, particularly ML and AI, show promise in predicting HPIs.
  • Theoretical computational approaches can guide the development of therapeutic agents.

Conclusions:

  • Advancements in structural and computational biology are essential for understanding HPIs.
  • AI and ML offer powerful tools for predicting HPIs and designing novel therapeutics.
  • Further research into computational approaches can accelerate the development of clinical treatments for infectious diseases and other HPI-related disorders.

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