University of Illinois Urbana-Champaign

Theoretical and computational investigations of membrane associated molecular pathology

Arango, Andres Santiago

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https://hdl.handle.net/2142/121521

Description

Title
Theoretical and computational investigations of membrane associated molecular pathology
Author(s)
Arango, Andres Santiago
Issue Date
2023-07-14
Director of Research (if dissertation) or Advisor (if thesis)
Tajkhorshid, Emad
Doctoral Committee Chair(s)
Tajkhorshid, Emad
Committee Member(s)
  • Fratti, Rutilio
  • Mirica, Liviu
  • Pogorelov, Taras
Department of Study
School of Molecular & Cell Bio
Discipline
Biophysics & Quant Biology
Degree Granting Institution
University of Illinois at Urbana-Champaign
Degree Name
Ph.D.
Degree Level
Dissertation
Keyword(s)
  • Membranes
  • simulation
  • topology
  • molecular simulations
  • amyloid beta
  • amphotericin
  • PPAR
  • CYP2J2
  • fusion proteins
  • membrane destabilization
  • pore formation
  • pathology
  • Alzheimer's disease
  • fungicides
  • metabolism
  • signaling
  • cancer
  • plasticizers
  • endocrine response
  • fusion mechanisms
  • transport mechanisms
  • SNARE proteins
  • priming
  • membranes
  • boundaries
  • molecular pathology.
Abstract
In this work we investigations membrane associated molecular pathology via a theoretical and computational approach. This work explores the use of mathematical tools from topology and molecular simulations to study membranes. These systems include amyloid beta, amphotericin, PPAR, CYP2J2, and fusion proteins. For amyloid beta, we investigate membrane destabilization and pore formation responsible for pathology in Alzheimer's disease. We probe biophysical properties of amphotericin to develop more clinically relevant fungicides. For CYP2J2, we study the mechanisms for metabolism and signaling relevant to cancer. In PPAR, the role of plasticizers are scrutinized for endocrine response. In addition, fusion and transport mechanisms are probed in the context of SNARE proteins and their priming partners. Overall, the role of membranes and boundaries are explored in molecular pathology.
Graduation Semester
2023-08
Type of Resource
Thesis
Copyright and License Information
Copyright 2023 Andres Arango

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