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Table 4 Docking results of most active antifungal compounds (d2 and d3) with standard drug

From: Synthesis, molecular modelling and biological significance of N-(4-(4-bromophenyl) thiazol-2-yl)-2-chloroacetamide derivatives as prospective antimicrobial and antiproliferative agents

Compounds

Docking score

Glide energy (kcal/mol)

Interacting amino acid residues

d2

− 7.206

− 51.603

Phe236, Thr130, Leu129, Tyr126, Tyr140, Ile139, Leu147, His468, Arg469, Cys470

d3

− 8.053

− 50.625

Tyr126, Arg385, Cys470, Arg469, His468, Gly465, Gly464, Phe463, Pro462

Fluconazole

− 5.847

− 40.932

His468, Arg469, Cys470, Ile471, Tyr126, Hie378, Leu380, Leu383, Arg385