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Molecular insights into the interaction of HPV-16 E6 variants against MAGI-1 PDZ1 domain

Lilian Esmeralda Araujo-Arcos1, Sarita Montaño2, Ciresthel Bello-Rios1

  • 1Laboratorio de Biomedicina Molecular, Facultad de Ciencias Químico-Biológicas, Universidad Autonóma de Guerrero, 39090, Chilpancingo, CP, México.

Scientific Reports
|February 4, 2022
PubMed

Insights

Human Papilloma Virus 16 (HPV-16) E6 protein variants show increased binding affinity to the MAGI-1 protein. These genetic variations in HPV-16 E6 may alter its interaction with MAGI-1, a key cellular scaffolding protein.

Area of Science:

  • Virology
  • Molecular Biology
  • Structural Biology

Background:

  • The Human Papilloma Virus 16 (HPV-16) oncogenic E6 protein targets Membrane-associated guanylate kinase with inverted domain structure-1 (MAGI-1) for degradation.
  • MAGI-1 is a crucial scaffolding protein at epithelial cell tight junctions, regulating signaling pathways via its multiple domains, notably PDZ domains.
  • Genetic variations in the HPV-16 E6 gene can alter its interaction with cellular proteins like MAGI-1.

Purpose of the Study:

  • To investigate the in silico interaction between intragenic variants of HPV-16 E6 and MAGI-1.
  • To evaluate how specific amino acid changes in HPV-16 E6 affect its binding affinity to MAGI-1.

Main Methods:

  • Utilized molecular dynamics simulations and protein-protein docking for in silico analysis.
  • Examined the binding interactions of several HPV-16 E6 variants (E-G350, E-C188/G350, E-A176/G350, E6-AAa, E6-AAc) against reference HPV-16 E6 and MAGI-1 models.

Main Results:

  • All tested HPV-16 E6 variants demonstrated enhanced binding affinity to MAGI-1 compared to the reference E6.
  • Specific variants like E-G350, E-C188/G350, E-A176/G350, E6-AAa, and E6-AAc showed increased affinity.

Conclusions:

  • Intragenic variations in HPV-16 E6 significantly modulate its interaction with MAGI-1.
  • These genetic alterations in HPV-16 E6 may lead to altered MAGI-1 binding and potentially impact cellular functions regulated by MAGI-1.

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