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

Manos C. Vlasiou; Georgios Nikolaou; Kyriakos Spanoudes; Daphne E. Mavrides

doi:10.3390/vetsci11090424

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

Manos C. Vlasiou
, Georgios Nikolaou
, Kyriakos Spanoudes
, Daphne E. Mavrides

Department of Veterinary Medicine

Research output: Contribution to journal › Article › peer-review

Abstract

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^pro). This work revealed the β-tocotrienol and δ-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.

Original language	English
Article number	424
Journal	Veterinary Sciences
Volume	11
Issue number	9
DOIs	https://doi.org/10.3390/vetsci11090424
Publication status	Published - Sept 2024

Keywords

drug discovery
FIP
inhibitors
vitamin E

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.3390/vetsci11090424

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

abstract = "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-3CLpro). This work revealed the β-tocotrienol and δ-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.",

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T1 - β-Tocotrienol and δ-Tocotrienol as Additional Inhibitors of the Main Protease of Feline Infectious Peritonitis Virus

T2 - An In Silico Analysis

AU - Vlasiou, Manos C.

AU - Nikolaou, Georgios

AU - Spanoudes, Kyriakos

AU - Mavrides, Daphne E.

PY - 2024/9

Y1 - 2024/9

N2 - 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-3CLpro). This work revealed the β-tocotrienol and δ-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.

AB - 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-3CLpro). This work revealed the β-tocotrienol and δ-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.

KW - drug discovery

KW - FIP

KW - inhibitors

KW - vitamin E

UR - https://www.scopus.com/pages/publications/85205055241

U2 - 10.3390/vetsci11090424

DO - 10.3390/vetsci11090424

M3 - Article

AN - SCOPUS:85205055241

SN - 2306-7381

VL - 11

JO - Veterinary Sciences

JF - Veterinary Sciences

IS - 9

M1 - 424

ER -

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

Abstract

Keywords

UN SDGs

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