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Table 7 The interaction of highly active compounds with binding pocket of bacterial dihydrofolate reductase (PDB ID 3SRW)

From: Antimicrobial, antioxidant and cytotoxic evaluation of diazenyl chalcones along with insights to mechanism of interaction by molecular docking studies

Compound Interacting residues of the binding pocket
C-6 Ala8, Val7, Leu6, Phe93, Phe99, Ile15, Asn19, Gln20, Leu21, Trp23
C-8 Lys33, Val32, Lys30, Leu29, Asp28, Phe93, Leu6, Val7, Ala8, Ile15, Trp23, Leu21
C-24 Val32, Phe93, Leu29, Asp28, Trp23, Leu21, Gln20, Asn19,Ile15, Thr47,Ser50, Ile51
C-25 Leu6, Val7, Ala8, Phe99, Gln96, Phe93, Thr122, Ile15,Asn19, Gln20, Leu21, Trp23
C-27 Leu55, Asp28, Leu29, Val32, Leu6, Val7, Ala8, Phe99, Thr122, Gln96, Phe99, Ile15, Asn19, Gln20, Leu21, Trp23
Trimethoprim Asp28, Leu29, Val32, Ala8, Val7, Phe93, Leu6, Phe99, Ile15, Asn19, Gln20, Leu21