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Table 2 Binding energies of hit compounds in their respective binding proteins

From: Characterisation of plasmodial transketolases and identification of potential inhibitors: an in silico study

  Hit compounds TKT proteins
Pf Pv Po Pm Pk Pc Pb Py Hs
Binding affinity (Kcal/mol) SANC00107 − 8.4 − 7.9 − 8.1 − 7.8 − 7.3 − 8.0 − 8.4 − 8.0 Not binding at active site (− 7.7)
SANC00411 − 8.4 − 7.3 − 8.1 − 7.0 − 7.7 − 7.2 − 7.7 − 7.8 Not binding at active site (− 7.5)
SANC00620 − 8.5 − 7.8 − 8.7 − 8.5 − 8.0 − 7.9 − 8.0 − 7.9 Not binding at active site (− 7.5)
HPP − 5.3 − 5.1 − 5.2 − 5.3 − 5.7 − 6.1 − 5.6 − 5.9 Binding at active site (− 5.9)
  1. Control compound is indicated as HPP
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Malaria Journal

ISSN: 1475-2875

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