Journal
MEDICINAL CHEMISTRY
Volume 7, Issue 6, Pages 690-696Publisher
BENTHAM SCIENCE PUBL LTD
DOI: 10.2174/157340611797928406
Keywords
Antibacterial activity; antifungal activity; conformational analysis; physicochemical descriptors; piperidine derivatives; thiosemicarbazide derivatives
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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.
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