Date of Award

Spring 5-23-2021

Degree Type

Thesis

Degree Name

Master of Science (MS)

Department

Biomedical and Chemical Engineering

Advisor(s)

Nangia, Shikha

Second Advisor

Chakraborty, Arindam

Keywords

Chimera, Claudin, Computational, Simulation

Subject Categories

Biomedical Engineering and Bioengineering | Chemical Engineering | Chemistry | Computational Chemistry | Engineering | Physical Sciences and Mathematics

Abstract

Tight junctions are vital to epithelial and endothelial barrier functions aiding in ion transport and preventing toxins from crossing into paracellular space. Claudins, made of four transmembrane helices and two extracellular loops, are a major part of the assembly of tight junctions along with other transmembrane proteins. The dimer interactions of two members of the 27-known members of the claudin family—claudin-2 and claudin-4—were analyzed. We created claudin chimera by switching claudin 2's extracellular loops with claudin 4's. The chimeras were analyzed using molecular dynamic simulations by comparing them to the natural claudins. This analysis provided new insight into the assembly of tight junction strands that ultimately will aid in paracellular drug delivery through barriers in the human body.

Access

Open Access

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