The increasing resistance of pathogens to common antibiotics, as well as the need to control urease activity to improve the yield of soil nitrogen fertilization in agricultural applications, has stimulated the development of novel classes of molecules that target urease as an enzyme. In this context, the newly developed compounds on the basis of 1-heptanoyl-3-arylthiourea family were evaluated for Jack bean urease enzyme inhibition activity to validate their role as potent inhibitors of this enzyme. 1-Heptanoyl-3-arylthioureas were obtained in excellent yield and characterized through spectral and elemental analysis. All the compounds displayed remarkable potency against urease inhibition as compared to thiourea standard. It was found that novel compounds fulfill the criteria of drug-likeness by obeying Lipinski's rule of five. Particularly compound 4a and 4c can serve as lead molecules in 4D (drug designing discovery and development). Kinetic mechanism and molecular docking studies also carried out to delineate the mode of inhibition and binding affinity of the molecules.

Biomedical Research Centre University Hospital Hradec Kralove Sokolska 581 500 05 Hradec Kralove Czech Republic

Cardiovascular and Metabolic Research Unit Laurentian University 935 Ramsey Lake Road Sudbury ON P3E 2C6 Canada

Department of Biological Sciences College of Natural Sciences Kongju National University 56 Gongjudehak Ro Gongju Chungnam 314 701 Republic of Korea

Department of Chemistry Abdul Wali Khan University Mardan Khybder Pakhtunkhwa Pakistan

Department of Chemistry Quaid 1 Azam University Islamabad 45320 Pakistan

Department of Physiology University of Sindh Jamshoro 76080 Pakistan

Institute of biochemistry University of Sindh Jamshoro 76080 Pakistan

Citace poskytuje Crossref.org