апрель 2017

Synthesis and molecular docking study of N-(2,2,2-trichloro-1-(1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-6-ylamino)ethyl)-carboxamides as potential antibacterial agents

Titova A. E. , Pokotylo I. O. , Zadorozhnii P. V. , Kiselev V. V. , Kharchenko A. V.
Химия и современные технологии
Abstract / Full Text

The bacterium Streptococcus pneumoniae, this bacteria belongs to the Streptococcus genus and is the causative agent of meningitis, otitis media, sinusitis, community-acquired pneumonia. It attaches to the host’s cell using SfbI protein (Fig. 1) [1]. As inhibitors of SfbI protein we propose derivatives of N-2,2,2-trichloro-1-(1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-6-ylaminoethyl)carbo-xamide 3 (Fig. 2). Obtained on the basis of isothiocyanates 1, through the formation of intermediate products – thiourea 2 (Scheme 1) [2].

Figure 1 – Molecular structure of SfbI protein according to XRD data [1].

Figure 2 – Position of com-pounds 3b in SfbI protein active site.

Scheme 1 Synthesis of compounds 3

  1. Walden M. et al. eLife. 2015, 4: 1-24
  2. Zadorozhnii P.V. et al. Vopr. Khim. Khim. Tech. 2013, 5: 9-11