Antimalarial Properties of Isoquinoline Derivative from Streptomyces hygroscopicus subsp. Hygroscopicus: An In Silico Approach

Table 2

Grid box scale of reverse molecular docking.

No.	Protein targets (PDB ID)	Control ligand	Grid box scale
			Center X	Center Y	Center Z	Size X	Size Y	Size Z
1	1VYQ	DUX	39.642	−−11.423	−9.416	20.929	18.116	18.059
2	3O8A	O8A	27.327	−11.500	17.077	19.029	14.315	14.932
3	2BLA	CP6	28.120	3.267	11.793	11.999	13.358	17.359
4	4FGZ	CQA	19.138	26.353	14.428	31.372	25.182	30.762
5	1P9B	HDA	26.315	86.090	28.993	13.599	14.757	14.304
6	2W41	ADP	7.699	−11.466	110.859	13.817	19.345	20.104
7	3UOW	XMP	−10.921	30.878	43.840	22.647	19.535	21.819
8	3LT0	FT1	49.285	86.071	37.026	37.026	29.896	18.603
		NAD
9	3PR3	F6P	15.645	12.408	12.578	20.050	20.150	19.285
10	4J75	TYM	21.709	12.607	−0.525	21.240	29.604	28.658
11	4Y67	RC5	2.187	12.936	19.733	21.369	18.817	19.252
12	3BPF	E64	−59.109	−3.131	−18.321	25.043	20.228	22.512
13	3BWK	C1P	5.661	−23.586	50.308	24.306	22.568	19.700
14	3AU9	FOM	11.486	−15.360	16.082	20.921	16.018	18.591