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Antimicrobial Activity and SAR Study of Some Novel Thiosemicarbazide Derivatives Bearing Piperidine Moiety

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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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Keywords: Antibacterial activity; antibiotics point; antifungal activity; bacterial pathogens; cationic polypeptides; conformational analysis; electrostatic potential surface; physicochemical descriptors; piperidine derivatives; thiosemicarbazide derivatives

Document Type: Research Article

Publication date: 01 November 2011

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