Molecular modelling of 2-iminothiazoles as insecticidal activity


BULGARIAN CHEMICAL COMMUNICATIONS, vol.49, pp.5-14, 2017 (SCI-Expanded) identifier

  • Publication Type: Article / Article
  • Volume: 49
  • Publication Date: 2017
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.5-14
  • Keywords: molecular modelling, docking, insecticide, 2-iminothiazole, acetyl CoA carboxylase, AGENTS
  • Anadolu University Affiliated: Yes


Insecticides are used in agriculture, medicine, industry and by consumers, indoor. Insecticides are also claimed to be a major factor behind the increase in agricultural 20th century's productivity. On the other hand, modes of their action is important in understanding whether an insecticide will be toxic to unrelated species, such as fish, birds and mammals. On the other hand, molecular docking, a new way of illuminating the effect mechanisms of biologically active chemicals offer a new green chemistry field. As provided herein, although 2-iminothiazoles are designed, synthesized and tested as protein tyrosine phosphatase 1B inhibitors, cannabinoid receptor ligands, pifithrin-alpha p53 inactivators, etc. there is not any remarkably record on their insecticidal docking study. Present work introduce the molecular modelling and mapping of active site of previously synthesized by us insecticidal 2-iminothiazole derivatives, by using classical docking techniques i.e. MOE, etc. and discuss their result.