Recent Advances in Application of Computer-Aided Drug Design in Anti-Influenza A Virus Drug Discovery

• Published in: International journal of molecular sciences Vol. 23; no. 9; p. 4738
• Main Authors: Yu, Dahai, Wang, Linlin, Wang, Ye
• Format: Journal Article
• Language: English
• Published: Switzerland MDPI AG 25.04.2022; MDPI
• Subjects: anti-influenza A virus; Antiviral Agents - pharmacology; Antiviral Agents - therapeutic use; Computer-Aided Design; computer-aided drug design (CADD); Drug Design; Drug development; Drug Discovery; Drug Evaluation, Preclinical; Drug screening; Drugs; Economic impact; Humans; Infectious diseases; Influenza A; Influenza A virus; Influenza, Human - drug therapy; Literature reviews; Pandemics; Proteins; Review; small-molecule inhibitor; Swine flu; Therapeutic targets; Viruses; computer-aided drug design (CADD); small-molecule inhibitor; drug discovery; anti-influenza A virus
• ISSN: 1422-0067; 1661-6596; 1422-0067
• DOI: 10.3390/ijms23094738

Influenza A is an acute respiratory infectious disease caused by the influenza A virus, which seriously threatens global human health and causes substantial economic losses every year. With the emergence of new viral strains, anti-influenza drugs remain the most effective treatment for influenza A. Research on traditional, innovative small-molecule drugs faces many challenges, while computer-aided drug design (CADD) offers opportunities for the rapid and effective development of innovative drugs. This literature review describes the general process of CADD, the viral proteins that play an essential role in the life cycle of the influenza A virus and can be used as therapeutic targets for anti-influenza drugs, and examples of drug screening of viral target proteins by applying the CADD approach. Finally, the main limitations of current CADD strategies in anti-influenza drug discovery and the field's future directions are discussed.