Discovering phenoxy acetohydrazide derivatives as urease inhibitors and molecular docking studies

Abstract

Helicobacter pylori causes severe stomach disorders and the use of enzyme inhibitors for treatment is one of the possible therapies. The great biological potential of imine analogs as urease inhibitors has been the focus of researchers in past years. In this regard, we have synthesized twenty-one derivatives of dichlorophenyl hydrazide. These compounds were characterized by different spectroscopic techniques i.e. NMR and HREI-MS. Compounds 2 and 10 were found to be the most active in the series. Structure-activity relationship has been established for all compounds based on different substituents attached to the phenyl ring that play a vital role in enzyme inhibition. From the structure-activity relationship, it has been observed that these analogs showed excellent potential for urease and can be an alternate therapy in the future. The molecular docking study was performed to further explore the binding interactions of synthesized analogs with enzyme active sites.

Communicated by Ramaswamy H. Sarma

Keywords:

• phenoxy acetohydrazide
• urease inhibition
• SAR of synthesized compounds
• molecular docking study

Acknowledgments

The authors would like to acknowledge the financial support of Institute for Research and Medical Consultations (IRMC), Imam Abdulrahman Bin Faisal University for this study.