title: Design and in silico screening of inhibitors of the cholera toxin.
abstract: BACKGROUND
  Cholera toxin (CT) is the causative agent for cholera, which is responsible for the death of millions of people. The holotoxin structure of CT in conjunction with its mechanism of action reveals four potential target areas to design CT therapeutic agents: i) the inhibition of adenylate cyclase; ii) the blockage of the active site of the enzyme located in the A subunit; iii) the disruption of the assembly of the holotoxin by interrupting the A2-B interaction; and iv) the interception of the receptor binding to the bottom of the B pentamer.
  
  
  OBJECTIVE
  In this review, some of the most exciting and successful CT inhibitors and their design strategies are highlighted. These include transition state analogues and substrate analogues as CTA inhibitors, and pentavalent ligand, sugar-containing dendrimers and sugar mimics as CTB inhibitors. Some recent progress in in silico screening methods is also summarized.
  
  
  CONCLUSIONS
  The most potent inhibitor demonstrated an IC50 of 50 pM.
authors.affiliation: Weill Medical College of Cornell University, Abby and Howard Milstein Chemistry Core Facility, Department of Biochemistry, 1300 York Ave, New York, NY 10065, USA +1 212 746 5743 ; +1 212 746 8875 ; windzgt@gmail.com.
authors.forename: Guangtao
authors.initials: G
authors.lastname: Zhang