Noor Waleed

Computationally Guided Design of New Naphthalene-Oxazole-Hydrazone Derivatives as Potential HDAC Inhibitors: ADME Assessment, Molecular Docking, Molecular Dynamics, and MM/GBSA Analysis

Computational findings suggest that the designed naphthalene–oxazole–hydrazone derivatives emerged as the most promising candidate among the designed derivatives based on the computational analyses that warrant further synthesis and biological evaluation.