Progeria is a rare genetic disorder characterized by premature aging that eventually leads to death and is noticed globally. Despite\nalarming conditions, this disease lacks effective medications; however, the farnesyltransferase inhibitors (FTIs) are a hope in the\ndark. Therefore, the objective of the present article is to identify new compounds from the databases employing pharmacophore\nbased virtual screening. Utilizing nine training set compounds along with lonafarnib, a common feature pharmacophore was\nconstructed consisting of four features. The validated Hypo1 was subsequently allowed to screen Maybridge, Chembridge, and\nAsinex databases to retrieve the novel lead candidates, which were then subjected to Lipinski�s rule of 5 and ADMET for druglike\nassessment. The obtained 3,372 compounds were forwarded to docking simulations and were manually examined for the key\ninteractions with the crucial residues. Two compounds that have demonstrated a higher dock score than the reference compounds\nand showed interactions with the crucial residues were subjected to MD simulations and binding free energy calculations to assess\nthe stability of docked conformation and to investigate the binding interactions in detail. Furthermore, this study suggests that the\nHits may be more effective against progeria and further the DFT studies were executed to understand their orbital energies.
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