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

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

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

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