Publication date: Oct 04, 2024
The presence of a guanine quadruplex in the opening reading frame of the messenger RNA coding for the transmembrane serine protease 2 (TMPRSS2) may pave the way to original anticancer and host-oriented antiviral strategy. Indeed, TMPRSS2 in addition to being overexpressed in different cancer types, is also related to the infection of respiratory viruses, including SARS-CoV-2, by promoting the cellular and viral membrane fusion through its proteolytic activity. The design of selective ligands targeting TMPRSS2 messenger RNA requires a detailed knowledge, at atomic level, of its structure. Therefore, we have used an original experimental-computational protocol to predict the first resolved structure of the parallel guanine quadruplex secondary structure in the RNA of TMPRSS2, which shows a rigid core flanked by a flexible loop. This represents the first atomic scale structure of the guanine quadruplex structure present in TMPRSS2 messenger RNA.
| Concepts | Keywords |
|---|---|
| Modeling | Electronic Circular Dichroism |
| Overexpressed | Guanine Quadruplexex |
| Quadruplex | Messenger RNA |
| Rna | molecular dynamics |
| Viral | QM/MM Methods |
Semantics
| Type | Source | Name |
|---|---|---|
| drug | DRUGBANK | Guanine |
| disease | IDO | host |
| disease | MESH | cancer |
| disease | MESH | infection |