Computational and Systematic Analysis of Zosurabalpin (RG6006) against Cancerous and Pathogenic Microbial Proteins

Introduction. Zosurabalpin (ZAB) is a new antibiotic that shows significant promise against drug-resistant bacteria, specifically Acinetobacter baumannii, a pathogen notorious for its resistance to many existing antibiotics. It works by blocking the lipid transport mechanism within the bacteria, which is crucial for their survival. Objective. This study aims to systematically analyze the mechanism of action of Zosurabalpin and to perform computational analysis to identify target selection and binding sites of cancerous and pathogenic microbial proteins. Method. A comprehensive literature review was conducted using PubMed, Google Scholar, and Cochrane Library databases to understand the mechanism of Zosurabalpin against A. baumannii. Computational molecular screening tools such as Swiss ADME, Swiss Target Prediction, Swiss Param, Mcule, PASS Online, and others were utilized to analyze the effectiveness of Zosurabalpin, determine its binding sites, and evaluate its pharmacokinetic and toxicological properties. Result. Zosurabalpin targets the lipopolysaccharide (LPS) transport machinery in A. baumannii, inhibiting LPS transport and destabilizing the bacterial outer membrane. Computational analysis indicated that Zosurabalpin could be useful in cancer treatment, showing potential activity as a fibroblast growth factor agonist and interleukin-2 agonist, among others. The compound demonstrated a balanced profile in terms of physicochemical properties, pharmacokinetics, and safety, though improvements in absorption might be needed. Discussion. The novel mechanism of action of Zosurabalpin, involving the inhibition of LPS transport in A. baumannii, highlights its potential to address the urgent need for effective treatments against drug-resistant infections. Computational predictions also suggest its potential application in cancer therapy, with favorable pharmacokinetic and safety profiles. However, challenges remain in optimizing its absorption properties for clinical use.