New type of Sulfonylureas as an AHAS enzyme inhibitor: Calculation in Molecular Docking


Canbolat N., Karacan N.

ACS Fall 2021 Resilience of Chemistry, Georgia, Amerika Birleşik Devletleri, 22 - 27 Ağustos 2021

  • Yayın Türü: Bildiri / Özet Bildiri
  • Doi Numarası: 10.1021/scimeetings.1c00993
  • Basıldığı Şehir: Georgia
  • Basıldığı Ülke: Amerika Birleşik Devletleri
  • Gazi Üniversitesi Adresli: Evet

Özet

It is aimed to substitute the pyrimidinone group instead of the pyrimidine group in sulfonylurea herbicides sold in the market. Because, according to the literature data (and patents received), the pyrimidinone group shows herbicidal activity. Our aim is to synthesize new generation sulfonylureas that contain two pharmacophore groups such as pyrimidinone and sulfonylurea. Before synthesis, molecular docking calculations of the compounds to be synthesized will be made with Schrödinger suite (2020) software and doking scores will be determined. Calculations made with AutoDock and Schrödinger suite (2020) will be compared. Then, the in vitro herbicidal activities of these compounds on the ALS enzyme to be isolated from green plants will be determined. Then, metal complexes of these compounds will be synthesized.