Oyebamiji AKJosiah OMAkintelu SAAdeoye MDSabitu BOLatona DFEsan AOSoetan EASemire B2022-07-282022-07-28202110.1016/j.dib.2021.1074412352-3409https://nerd.ethesis.ng/handle/123456789/496Data in BriefThe continuous havoc wrecked by tuberculosis among humans worldwide remains colossal. In this work, twenty-one (21) 2-(quinoline-4-yloxy)acetamide analogues were observed against Mycobacterium tuberculosis catalase-peroxidase (This enzyme shields bacteria from poisonous drug-like molecules) (PDB ID: 1sj2) using density functional theory method, QSAR study using material studio software and docking method via PyMol, AutoDock Tool, AutoDock Vina and Discovery studio 2017 as well as ADMET study via admetSAR2. Twelve descriptors were obtained from the optimized compounds which were used to develop valid QSAR model. More so, the binding affinity between 2-(quinoline-4-yloxy)acetamide analogues and Mycobacterium tuberculosis catalase-peroxidase (PDB ID: 1sj2) via docking method were reported. ADMET properties of some selected compounds were also examined.en2-(quinoline-4-yloxy)acetamideTuberculosisQSARDFTDockingADMETArticle