Docking simulation between HIV peptidase inhibitors and Trypanosoma cruzi aspartyl peptidase.

ABSTRACT:

Objective

The low investment in research, diagnosis and treatment are factors that contribute to the continuity of Chagas' disease as a neglected tropical diseases (NTDs). In this context, the repositioning of drugs represents a useful strategy, in the search for new chemotherapeutic approaches for NTDs. HIV aspartic peptidase inhibitors (HIV IPs) are good candidates for drug repurposing. Here, we modeled the three dimensional structure of an aspartyl peptidase of Trypanosoma cruzi, the causative agent of Chagas' disease, aligned it to the HIV aspartyl peptidase and performed docking binding assays with the HIV PIs.

Results

The 3D structure confirmed the presence of acid aspartic residues, which are critical to enzyme activity. The docking experiment revealed that HIV IPs bi

SUBMITTER: Castilho VVS 

PROVIDER: S-EPMC6249910 | biostudies-literature | 2018 Nov

REPOSITORIES: biostudies-literature