INTRODUCTION: Medicinal plants have been essential to the development of primary healthcare and are a rich source of novel bioactive chemicals for medication discovery. The bioactive components of Brassica oleracea var. Italica and their roles in supporting health are diverse. The aim of the study is used to confirm the mode of binding for antibacterial activity, elucidating quantum chemical properties, and ADME-drug-likeness of isothiocyanates and glucosinolates isolated from Brassica oleracea. L. Var. Italica.