4. Conclusion
NASH
This study performed a series of computer-aided structural techniques to explore therapeutic potential of the third phase clinical trial PPAR pan-agonist; Lanifibranor. Molecular dynamic studies of Lanifibranor showed that it can be a promising drug candidate in treating NASH, that fully activates PPARα, and PPARδ whereas partially activate PPARγ. Moreover, FDA-approved drugs: Forasartan, Raltitrexed, and Lifitegrast also stand out as potential agonists for PPARα (full agonist), PPARγ (partial agonist), and PPARδ (full agonist), respectively. Lanifibranor facilitates compact AF-2 Domain organization which in turn assists the attachment of co-activator. The PPARγ agonist Raltitrexed and Lanifibranor exhibited as partial activators due to the lack of a pharmacophore feature (HBA) leading to the loss of H-12 interactions. Furthermore, this study has also led to the identification of common chemical scaffolds (methyl sulfonyl benzene, butyric acid, and chlorobenzene) which provide a good starting point for designing new drugs against PPARs. These drugs can also be considered in combinational therapy against NASH followed by 