AI Article Synopsis

  • Researchers isolated two new compounds, Bromoiesol sulfates A and B, from a marine cyanobacterium, along with their hydrolyzed derivatives, bromoiesols A and B.
  • They used a structure-prediction AI tool called SMART and confirmed the structures through single-crystal X-ray diffraction analysis.
  • The bromoiesol family, particularly bromoiesols A and B, showed potential in selectively inhibiting the growth of a parasite that causes human African sleeping sickness.

Article Abstract

Bromoiesol sulfates A () and B (), new polyhalogenated aryl sulfates, were isolated from a sp. marine cyanobacterium along with their hydrolyzed compounds, bromoiesols A () and B (). To pick up the candidates of their structures, we used Small Molecule Accurate Recognition Technology (SMART), an artificial intelligence-based structure-prediction tool, and their structures were elucidated on the basis of single-crystal X-ray diffraction analysis of bromoiesols ( and ). In addition, to verify the structures, the total synthesis of bromoiesol A sulfate () and bromoiesol A () was achieved. The bromoiesol family, especially bromoiesols ( and ), selectively inhibited the growth of the bloodstream form of , the causative agent of human African sleeping sickness.

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Source
http://dx.doi.org/10.1021/acs.joc.1c01214DOI Listing

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