β -Tocotrienol and δ -Tocotrienol as Additional Inhibitors of the Main Protease of Feline Infectious Peritonitis Virus: An In Silico Analysis

• Published in: Veterinary sciences Vol. 11; no. 9; p. 424
• Main Authors: Vlasiou, Manos C, Nikolaou, Georgios, Spanoudes, Kyriakos, Mavrides, Daphne E
• Format: Journal Article
• Language: English
• Published: Switzerland MDPI AG 11.09.2024; MDPI
• Subjects: Animal models; Anorexia; Biopsy; Coronaviruses; Crystal structure; Disease transmission; Drug development; drug discovery; Feline infectious peritonitis; FIP; Immune system; Immunity (Disease); Immunomodulation; Infections; inhibitors; Ligands; Mathematical models; Medical research; Peritonitis; Proteinase; Proteinase inhibitors; Proteins; Software; Viruses; Vitamin E; inhibitors; drug discovery; FIP; vitamin E
• ISSN: 2306-7381; 2306-7381
• DOI: 10.3390/vetsci11090424

Feline infectious peritonitis (FIP) is a severe and invariably fatal disease affecting both domestic and wild felines with limited effective therapeutic options available. By considering the significant immunomodulatory effects of vitamin E observed in both animal and human models under physiological and pathological conditions, we have provided a full in silico investigation of vitamin E and related compounds and their effect on the crystal structure of feline infectious peritonitis virus 3C-like protease (FIPV-3CL ). This work revealed the -tocotrienol and -tocotrienol analogs as inhibitor candidates for this protein, suggesting their potential as possible drug compounds against FIP or their supplementary use with current medicines against this disease.