National Institute of Allergy and Infectious Diseases 5R21AI178088-02

Computational de novo design of macrocyclic type I Signal Peptidase inhibitors

This NIH-funded project focuses on developing new antibiotics by computationally designing inhibitors for bacterial type I signal peptidase using advanced peptide design and deep learning techniques. The goal is to create broad-spectrum antibiotic candidates and methods for targeting bacterial proteins.

Description

The project aims to integrate computational peptide design, deep learning, and high-throughput chemical synthesis to create a framework for designing new antibiotics targeting bacterial type I signal peptidase (SPase I). The project will design broad-spectrum inhibitors of SPase I, synthesize the best computational models, and test them for binding, inhibition, bacterial growth inhibition, toxicity, and binding mode accuracy.

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