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In silico analysis of polyphenols modulate bovine PPARγ to increase milk fat synthesis in dairy cattle via the MAPK signalling pathways.
Safdar, Muhammad; Hassan, Faizul; Khan, Muhammad Sajjad; Hassan Khan, Aneeb; Junejo, Yasmeen; Ozaslan, Mehmet; Arain, Muhammad Asif; Behan, Atique Ahmed.
Afiliación
  • Safdar M; Faculty of Animal Production & Technology, Cholistan University of Veterinary and Animal Sciences, Bahawalpur.
  • Hassan F; Faculty of Animal Production & Technology, Cholistan University of Veterinary and Animal Sciences, Bahawalpur.
  • Khan MS; Faculty of Animal Production & Technology, Cholistan University of Veterinary and Animal Sciences, Bahawalpur.
  • Hassan Khan A; Faculty of Animal Production & Technology, Cholistan University of Veterinary and Animal Sciences, Bahawalpur.
  • Junejo Y; Faculty of Animal Production & Technology, Cholistan University of Veterinary and Animal Sciences, Bahawalpur.
  • Ozaslan M; Department of Biology, Division of Molecular Biology and Genetics, Gaziantep University, Turkey.
  • Arain MA; Faculty of Veterinary and Animal Sciences, Lasbela University of Agriculture, Water and Marine Sciences, Uthal, Pakistan.
  • Behan AA; Department of Animal and Veterinary Sciences, College of Agricultural and Marine Sciences, Sultan Qaboos University, Muscat, Oman.
J Anim Sci ; 2024 Aug 30.
Article en En | MEDLINE | ID: mdl-39210246
ABSTRACT
This study investigates the potential phytochemicals that modulate bovine peroxisome proliferator-activated receptor gamma (PPARγ) and the Mitogen-Activated Protein Kinase (MAPK) pathways to enhance milk fat production in dairy animals. Bovine PPARγ, a key member of nuclear hormone receptor superfamily, plays a vital role in regulating metabolic, cellular differentiation, apoptosis, and anti-inflammatory responses in livestock, while the MAPK pathway is contributory in cellular processes that impact milk fat synthesis. This approach involved an all-inclusive molecular docking analysis of 10,000 polyphenols to identify potential PPARγ ligands. From this extensive screening, top 10 compounds were selected that exhibited the highest binding affinities to bovine PPARγ. Particularly, Curcumin sulphate, Isoflavone and Quercetin emerged as the most promising candidates. These compounds demonstrated superior docking scores (-9.28 kcal/mol, -9.27 kcal/mol and -7.31 kcal/mol respectively) and lower RMSD values compared to the synthetic bovine PPARγ agonist, 2,4-Thiazolidinedione (-4.12 kcal/mol), indicating a strong potential for modulating the receptor. Molecular dynamics simulations (MDS) further affirmed the stability of these polyphenols-bovine PPARγ complexes, suggesting their effective and sustained interactions. These polyphenols, known as fatty acid synthase inhibitors, are suggested to influence lipid metabolism pathways crucial to milk fat production, possibly through the downregulation of the MAPK pathway. The screened compounds showed favorable pharmacokinetic profiles, including non-toxicity, carcinogenicity, and high gastrointestinal absorption, positioning them as viable candidates for enhancing dairy cattle health and milk production. These findings may open new possibilities for the use of phytochemicals as feed additives in dairy animals, suggesting a novel approach to improve milk fat synthesis through the dual modulation of bovine PPARγ and MAPK pathways.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Anim Sci Año: 2024 Tipo del documento: Article Pais de publicación: Estados Unidos
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Anim Sci Año: 2024 Tipo del documento: Article Pais de publicación: Estados Unidos