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In vivo and in silico pharmacological studies on some new 4-(1,3,4-thiadiazol-2-yl)benzene-1,3-diol analogues

Abstract

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-dihydroxyphenyl)methanethione]. The synthesized compounds were screened for their influence on CNS in an in 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.

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Abbreviations

CA:

carbonic anhydrases

CNS:

central nervous system

logP :

logarithm of partition coefficient of compound between n-octanol and water

PM3:

parametric method 3

STB:

sulfinylbis[2,4-dihydroxyphenyl)methanethione]

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Correspondence to A. Niewiadomy.

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Jagiełło-Wójtowicz, E., Niewiadomy, A., Chodkowska, A. et al. In vivo and in silico pharmacological studies on some new 4-(1,3,4-thiadiazol-2-yl)benzene-1,3-diol analogues. Russ J Bioorg Chem 40, 352–357 (2014). https://doi.org/10.1134/S1068162014030078

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  • DOI: https://doi.org/10.1134/S1068162014030078

Keywords

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