Scientific Reports

Table 7 List of the docking score of the synthesized eight molecules with cannabinoid receptor-GiComplex (6KPC).

From: Highly efficient synthesis of isoxazolones and pyrazolones using g-C₃N₄·OH nanocomposite with their in silico molecular docking, pharmacokinetics and simulation studies

Pose name	Docking score^a	Match score^a	Lipo score^a	Ambig score^a	Clash score^a	Rot score^a	Match^b
5C	− 33.96	− 23.63	− 16.11	− 4.68	5.06	0.0	37
5J	− 21.08	− 15.91	− 10.93	− 5.62	3.17	2.8	14
5H	− 20.87	− 12.98	− 14.34	− 5.58	6.63	0.0	19
5I	− 19.14	− 16.85	− 11.80	− 6.48	6.39	4.2	20
5D	− 18.07	− 14.38	− 9.41	− 3.30	3.62	0.0	18
5A	− 17.95	− 16.72	− 10.33	− 6.09	5.59	4.2	17
5E	− 17.03	− 13.95	− 9.93	− 4.21	5.66	0.0	18
5F	− 12.48	− 12.93	− 9.25	− 4.01	6.91	1.4	13

^akcal/mol, ^bnumber of matches.

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