Novel sulfonylureas that herbicidial and antimalarial activities: Molecular docking calculations


Canbolat N., Karacan N.

ACS Spring 2022, Bonding Through Chemistry, California, United States Of America, 20 March 2022

  • Publication Type: Conference Paper / Summary Text
  • Doi Number: 10.1021/scimeetings.2c00051
  • City: California
  • Country: United States Of America
  • Gazi University Affiliated: Yes

Abstract

Novel sulfonylureas will be synthesized in our laboratuary. It will be argued that it was substitute the pyrimidinone group, that known herbicidial activity with related literature and patent, since increasing the effect. May these novel products have better activity toward other activities, such as anti-microbial, anti-malaria etc.? To discuss this, computational programs will be used ,i.e. Schrödinger Suite (2021). Their organometallic forms will be computed with Schrödinger suite (2021). According to these data, it will be discussed their better results for anti-malaria activity with respect to non-covalent interactions. These multi-functional activity will be demonstrated before experimental results. It will be compared their theoretical and experimental herbicidial activity results, as an AHAS enzyme inhibitor.