Research Journal of Pharmacy and Technology
SCOPUS
  • Year: 2025
  • Volume: 18
  • Issue: 8

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

  • Author:
  • Sadia Afrin1,*, Rezwan Ahmed Mahedi1,2, Mustafa Jawad Kadham3, Mohammad Chand Jamali4,**, Swapnil Das5, Hrishik Iqbal6, Raed Fanoukh Aboqader Al-Aouadi7, Djumaniyazova Mukhayya Xusinovna8, Abdul Kareem J. Al-Azzawi9, Nikolaus Syrmos10, Akayed Hasan11, Mustafa Mudhafar12,13
  • Total Page Count: 8
  • Page Number: 3541 to 3548

1Department of Pharmacy, Comilla University, Comilla, Bangladesh

10Aristotle University of Thessaloniki, Thesaaloniki, Macedonia, Greece

11Division of Medicinal Chemistry, Graduate School of Pharmaceutical Science, Duquesne University

12Department of Medical Physics, Faculty of Medical Applied Sciences, University of Kerbala, 56001, Karbala, Iraq

13Department of Anesthesia Techniques and Intensive Care, Al Taff University College, 56001, Kerbala, Iraq

2Chief Researcher, Benzene Research Center, Dhaka, Bangladesh

3College of Medical Techniques, Al-Farahidi University, Baghdad, Iraq

4Assistant Professor, Faculty of Medical and Health Sciences, Liwa College, Al Ain, Abu Dhabi, United Arab Emirates

5Department of Pharmacy, University of Science and Technology, Chittagong

6Department of Mathematics and Natural Sciences, Brac University, Bangladesh

7College of Medicine, Al-Ayen Iraqi University, Thi-Qar, Iraq

8Pedagogy and Psychology Department, Urgench State University, Uzbekistan

9Dentistry Department, Al-Turath University, Baghdad, Iraq

*Corresponding Author E-mail: pcafrin7@gmail.com

**mjamali68@gmail.com

Online Published on 30 October, 2025.

Abstract

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.

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.

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.

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.

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.

Keywords

Zosurabalpin (ZAB), Swiss drug design, Lipopolysaccharide (LPS), A. baumannii, Mcule etc.