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. 2022 Jan 19;30(3):245–255. doi: 10.1016/j.jsps.2022.01.011

Fig. 4.

Fig. 4

The Putative binding modes (2D & 3D) of Haloperidol and Pantoprazole and their free binding energies expressed in Kcal/mol in the active site of the predicted 3D structure of (A) Multidrug resistance protein 1 expressed by MDR1 gene in C. albicans. (B) Pleiotropic ABC efflux transporter expressed by CDR1 gene in C. albicans. The blue and cyan shadow of the ligand and active site amino acids respectively, indicated strong hydrophobic/hydrophilic interactions.