Innovative Peptide Therapeutics for SARS-CoV-2: Design, Docking, and Functional Analysis.

ABSTRACT:

Background

The continuous emergence of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) variants necessitates the rapid development of novel therapeutics, particularly those targeting conserved viral proteins. Peptide-based drugs offer high specificity and low toxicity, making them ideal candidates.

Objectives

This study employed an integrated computational approach, combining structural biology, molecular docking, and molecular dynamics (MD) simulations, to design and evaluate novel peptide analogs targeting three key proteins of SARS-CoV-2: the Spike (S) protein, RNA-dependent RNA polymerase (RdRp), and nucleocapsid (N) protein.

Methods

The first step involved preparing a dataset containing anti-SARS-CoV-2 peptides using the DRAVP database and a literatu

SUBMITTER: Karimkhanilouei S 

PROVIDER: S-EPMC12933649 | biostudies-literature | 2026 Jan-Dec

REPOSITORIES: biostudies-literature