β-Keto esters from ketones and ethyl chloroformate: a rapid, general, efficient synthesis of pyrazolones and their antimicrobial, in silico and in vitro cytotoxicity studies

Organic and Medicinal Chemistry Letters

Table 5 Docking results of synthesized compounds in the binding site of phosphoinositide 3-kinase

Compound number	Total energy	Z score	VDW
1	−119.541	−122.5	−78.0144
2	−67.4663	68.3	−53.8734
3	−105.3452	−90.9	−68.1224
4	−75.0481	−75	−70.3258
5	−77.1818	−77.2	−61.47
6	−101.23	−105.1	−55.6405
7	−96.8291	−110.9	−54.3328
8	−92.0488	−92	−61.893
9	−75.3184	−75.3	−62.0764
10	−119.421	−120.5	−76.7195
11	92.8443	−92.3	−62.324
12	−83.9072	−83.9	−85.1019
13	−80.5887	−80.6	−66.5004
14	−107.157	−102.2	−62.1177
15	−76.9716	−77	−70.2072
16	−94.8943	−106.4	−52.3224
17	−90.9786	−91.4	−66.5817
18	−110.067	−91	−80.4918
19	−83.2508	−83.3	−54.2574
20	−76.3532	−76.3	−86.3532
21	−82.2975	−82.3	−54.9572
22	−74.2083	−74.2	−71.0281
23	−81.0895	−81.1	−63.5472
24	−76.2358	−76.2	−58.7925
25	−67.4663	−67.5	−49.4389
26	−80.9917	−81.1	−48.6582