IN VIVO AND IN SILICO PHARMACOLOGICAL STUDIES ON SOME NEW 4-(1,3,4-THIADIAZOL-2-YL)BENZENE-1,3-DIOL ANALOGUES

© 2014 E. Jagiełło-Wójtowicz*, A. Niewiadomy**^, ***^{, #}, A. Chodkowska*, K. Pawłowski*, K. Sarna**

^#E-mail: [email protected]

*Department of Toxicology, Medical University, Chodzki 8, Lublin, 20-093 Poland
**Department of Chemistry, University of Life Sciences, Lublin, Akademicka 15, Lublin, 20-950 Poland
***Institute of Industrial Organic Chemistry, Annopol 6, Warszawa, 03-236 Poland

Recevied November 21, 2013; in final form, December 24, 2013

4-(1,3,4-Thiadiazol-2-yl)benzene-1,3-diols 5-substituted in the heterocyclic ring were obtained by the reaction of the commercially available hydrazides or thiosemicarbazides with sulfinylbis[(2,4-dihydroxyphe-nyl)methanethione]. The synthesized compounds were screened for their influence on CNS in the vivo model. Computer aided prediction tools were used for the evaluation of toxicological properties. Additionally, based on the Lipinski filters, the drug-likeness of compounds was assessed. They revealed that the compounds possess properties which can suggest favorable pharmacokinetics in the body after oral admission.

Keywords: 1,3,4-thiadiazole, influence on CNS, Lipinski’s rule, in silico

Биоорг. химия 2014, 40 (3): 379-384