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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