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Table 5 Molecular docking results and interacting residues of compound 5 and standard drugs

From: Synthesis, molecular docking and biological potentials of new 2-(4-(2-chloroacetyl) piperazin-1-yl)-N-(2-(4-chlorophenyl)-4-oxoquinazolin-3(4H)-yl)acetamide derivatives

Compound no. Docking score Glide energy (kcal/mol) Interacting residues
5 − 8.011 − 64.796 Ala155, Leu158, Ile79, Ala172, Asp173, Phe176, VaL35, Tyr32, Glu66, Lys52, Ala50, Phe97, Asp98, Tyr99, Ala100, Asp103, Trp105, Hid106, Arg356, Glu357, Leu359, Val27
5XG − 8.72 − 49.49 Ile79, Ala172, Asp173, Arg356, Phe97, Ala 100, Val159, Glu101, Gly33
Raltitrexed (Tomudex) − 10.86 − 54.30 Met174, Asp173, Phe176, Glu66A, Lys52, Leu70, Ile79
5-Fluorouracil − 5.753 − 21.673 Leu158, Arg356, Ala100, Tyr99, Asp98, Phe97, Ile79, Ala50, Val35