Computational and experimental investigation of antibacterial and antifungal properties of <i>Nicotiana tabacum</i> extracts

Abstract The identification of novel anti-infective agents synthetic and natural origin represents one the main aims contemporary drug discovery. In current work, four different varieties Nicotiana tabacum , namely, K399, SPG28, Swat No. 1, 2, were studied to assess antibacterial antifungal properties their extracts. extracts contain anthraquinones, alkaloids, saponins, terpenoids, tannins, resins, steroids, proteins, carbohydrates, activities evaluated toward bacterial fungal strains. N. K399 showed highest zone inhibition against E. coli . Similarly, potential, as for set was detected C. albicans Then, underlying molecular mechanism further investigated, tested inhibitory potential urease, an enzyme which is conserved in bacteria fungi. Additionally, computational tools enrolled role rutin chlorogenic acid, are among constituents leaves, interacting with urease through docking. Combined together, experimental results support extracts, particularly, that obtained from variety.