Design, Synthesis, Crystal Structure, In Vitro and In Silico Evaluation of New N' -Benzylidene-4-tert-butylbenzohydrazide Derivatives as Potent Urease Inhibitors.

, were found to be more active than standard. SAR revealed that electron donating groups in phenyl ring have more influence on enzyme inhibition. However, to gain insight into the participation of different substituents in synthesized derivatives on the binding interactions with urease enzyme, in silico (computer simulation) molecular modeling analysis was carried out.