Evaluation of Some Benzo[g]Quinazoline Derivatives as Antiviral Agents against Human Rotavirus Wa Strain: Biological Screening and Docking Study

• Published in: Current Issues in Molecular Biology Vol. 45; no. 3; pp. 2409 - 2421
• Main Authors: Abuelizz, Hatem A, Bakheit, Ahmed H, Marzouk, Mohamed, El-Senousy, Waled M, Abdellatif, Mohamed M, Mostafa, Gamal A E, Al-Salahi, Rashad
• Format: Journal Article
• Language: English
• Published: Switzerland MDPI AG 01.03.2023; MDPI
• Subjects: Antiviral agents; benzo[g]quinazolines; Coxsackievirus infections; cytotoxicity; docking study; Gastroenteritis; Health aspects; Hepatitis A; Infection; Protein binding; rotavirus Wa strain; Viral proteins; Germany; benzo[g]quinazolines; rotavirus Wa strain; docking study; cytotoxicity
• ISSN: 1467-3045; 1467-3037; 1467-3045
• DOI: 10.3390/cimb45030156

Globally, rotavirus (RV) is the most common cause of acute gastroenteritis in infants and toddlers; however, there are currently no agents available that are tailored to treat rotavirus infection in particular. Improved and widespread immunization programs are being implemented worldwide to reduce rotavirus morbidity and mortality. Despite certain immunizations, there are no licensed antivirals that can attack rotavirus in hosts. Benzoquinazolines, chemical components synthesized in our laboratory, were developed as antiviral agents, and showed good activity against herpes simplex, coxsackievirus B4 and hepatitis A and C. In this research project, an in vitro investigation of the effectiveness of benzoquinazoline derivatives - against human rotavirus Wa strains was carried out. All compounds exhibited antiviral activity, however compounds - , and showed the greatest activity (reduction percentages ranged from 50 to 66%). In-silico molecular docking of highly active compounds, which were selected after studying the biological activity of all investigated of benzo[g]quinazolines compounds, was implemented into the protein's putative binding site to establish an optimal orientation for binding. As a result, compounds , , , and are promising anti-rotavirus Wa strains that lead with Outer Capsid protein VP4 inhibition.