Agata Siwek and Joanna Stefanska Pages 690 - 696 ( 7 )
In this study novel thiosemicarbazides bearing piperidine moiety were synthesized in order to investigate their possible antibacterial and antifungal activities. A structure-activity relationship (SAR) study including conformational analysis and some physicochemical descriptors was carried out to provide the guidance for further synthetic work. The significant molecular descriptors related to the compounds with antifungal activity were: electrostatic potential surface, the highest occupied molecular orbital energy, surface area, volume, and hydration energy.
Antibacterial activity, antifungal activity, conformational analysis, physicochemical descriptors, piperidine derivatives, thiosemicarbazide derivatives, electrostatic potential surface, bacterial pathogens, antibiotics point, cationic polypeptides
Agata Siwek, Medical University, Staszica 6, 20-081 Lublin, Poland.