Virtual screening of fda-approved drugs for enhanced binding with mitochondrial aldehyde dehydrogenase

HIGHLIGHTS

• who: Boqian Zhou et al. from the Department of Biological Science and Engineering, School of Chemistry and Biological Engineering, University of Science and Technology Beijing, Beijing, China have published the paper: Virtual Screening of FDA-Approved Drugs for Enhanced Binding with Mitochondrial Aldehyde Dehydrogenase, in the Journal: Molecules 2022, 8773 of 10/Dec/2022
• what: The authors aimed to select potential inhibitors from the FDA-approved drug database with enhanced binding with ALDH2.
• future: Considering the issue of evaluating electrostatic interactions for the Vina docking and structural flexibility of ALDHs (mentioned above) further . . .
  

   

  

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