Synthesis, bioevaluation and docking studies of some 2-phenyl-1H-benzimidazole derivatives as anthelminthic agents against the nematode Teladorsagia circumcincta

Eur J Med Chem. 2020 Dec 15:208:112554. doi: 10.1016/j.ejmech.2020.112554. Epub 2020 Jul 7.

Abstract

Gastrointestinal nematode infections are the main diseases in herds of small ruminants. Resistance to the main established drugs has become a worldwide problem. The purpose of this study is to obtain and evaluate the in vitro ovicidal and larvicidal activity of some 2-phenylbenzimidazole derivatives on susceptible and resistant strains of Teladorsagia circumcincta. Compounds were prepared by known procedures from substituted o-phenylenediamines and arylaldehydes or intermediate sodium 1-hydroxyphenylmethanesulfonate derivatives. Egg Hatch Test (EHT), Larval Mortality Test (LMT) and Larval Migration Inhibition Test (LMIT) were used in the initial screening of compounds at 50 μM concentration, and EC50 values were determined for the most potent compounds. Cytotoxicity evaluation of compounds was conducted on human Caco-2 and HepG2 cell lines to calculate their Selectivity Indexes (SI). At 50 μM concentration, nine out of twenty-four compounds displayed more than 98% ovicidal activity on a susceptible strain, and four of them showed more than 86% on one resistant strain. The most potent ovicidal benzimidazole (BZ) 3 showed EC50 = 6.30 μM, for the susceptible strain, while BZ 2 showed the lowest EC50 value of 14.5 μM for the resistant strain. Docking studies of most potent compounds in a modelled Teladorsagia tubulin indicated an inverted orientation for BZ 1 in the colchicine binding site, probably due to its fair interaction with glutamic acid at codon 198, which could justify its inactivity against the resistant strain of T. circumcincta.

Keywords: 2-Phenyl-1H-benzimidazoles; Cytotoxicity; Teladorsagia circumcincta; Tubulin docking studies; in vitro assays.

MeSH terms

  • Animals
  • Antinematodal Agents / chemical synthesis
  • Antinematodal Agents / metabolism
  • Antinematodal Agents / pharmacology*
  • Benzimidazoles / chemical synthesis
  • Benzimidazoles / metabolism
  • Benzimidazoles / pharmacology*
  • Binding Sites
  • Cell Line, Tumor
  • Helminth Proteins / chemistry
  • Helminth Proteins / metabolism
  • Humans
  • Larva / drug effects
  • Molecular Docking Simulation
  • Ovum / drug effects
  • Protein Binding
  • Trichostrongyloidea / drug effects*
  • Tubulin / chemistry
  • Tubulin / metabolism

Substances

  • Antinematodal Agents
  • Benzimidazoles
  • Helminth Proteins
  • Tubulin