S-substituted 3,5-dinitrophenyl 1,3,4-oxadiazole-2-thiols and tetrazole-5-thiols as highly efficient antitubercular agents

Eur J Med Chem. 2017 Jan 27:126:369-383. doi: 10.1016/j.ejmech.2016.11.041. Epub 2016 Nov 21.

Abstract

Two new classes of antitubercular agents, namely 5-alkylsulfanyl-1-(3,5-dinitrophenyl)-1H-tetrazoles and 2-alkylsulfanyl-5-(3,5-dinitrophenyl)-1,3,4-oxadiazoles, and their structure-activity relationships are described. These compounds possessed excellent activity against Mycobacterium tuberculosis, including the clinically isolated multidrug (MDR) and extensively drug-resistant (XDR) strains, with no cross resistance with first or second-line anti-TB drugs. The minimum inhibitory concentration (MIC) values of the most promising compounds reached 0.03 μM. Furthermore, these compounds had a highly selective antimycobacterial effect because they were completely inactive against 4 gram positive and 4 gram negative bacteria and eight fungal strains and had low in vitro toxicity for four mammalian cell lines, including hepatic cell lines HepG2 and HuH7. Although the structure-activity relationship study showed that the presence of two nitro groups is highly beneficial for antimycobacterial activity, the analogues with a trifluoromethyl group instead of one of the nitro groups maintained a high antimycobacterial activity, which indicates the possibility for further structural optimization of this class of antitubercular agents.

Keywords: Antitubercular agent; Mycobacterium tuberculosis; Oxadiazole; Structure-activity relationships; Tetrazole; Tuberculosis.

MeSH terms

  • Antifungal Agents / chemical synthesis
  • Antifungal Agents / chemistry
  • Antifungal Agents / pharmacology
  • Antifungal Agents / toxicity
  • Antitubercular Agents / chemical synthesis
  • Antitubercular Agents / chemistry
  • Antitubercular Agents / pharmacology
  • Antitubercular Agents / toxicity
  • Drug Design*
  • Drug Resistance / drug effects
  • Hep G2 Cells
  • Humans
  • Microbial Sensitivity Tests
  • Oxadiazoles / chemistry*
  • Structure-Activity Relationship
  • Sulfhydryl Compounds / chemical synthesis*
  • Sulfhydryl Compounds / chemistry
  • Sulfhydryl Compounds / pharmacology*
  • Sulfhydryl Compounds / toxicity
  • Tetrazoles / chemistry*

Substances

  • Antifungal Agents
  • Antitubercular Agents
  • Oxadiazoles
  • Sulfhydryl Compounds
  • Tetrazoles
  • 1,3,4-oxadiazole