In-silico prediction of drug targets, biological activities, signal pathways and regulating networks of dioscin based on bioinformatics

Yin, Lianhong; Zheng, Lingli; Xu, Lina; Dong, Deshi; Han, Xu; Qi, Yan; Zhao, Yanyan; Xu, Youwei; Peng, Jinyong

doi:10.1186/s12906-015-0579-6

BMC Complementary Medicine and Therapies

Table 2 The target proteins of dioscin from human, rat and mouse searched in PDTD

From: In-silico prediction of drug targets, biological activities, signal pathways and regulating networks of dioscin based on bioinformatics

No	PDB	Uniprot_id	Gene symbol	Protein name	Gene id	Energy
Human
1	2old	-	-	Immune system	-	−64.3
2	1iyh	PTGD2_HUMAN	PTGDS2	Glutathione-requiring prostaglandin D synthase	27306	−65.2
3	1udu	PDE5A_HUMAN	PDE5A	cGMP-specific 3′,5′-cyclic phosphodiesterase	8654	−58
4	2ax4	PAPS2_HUMAN	PAPSS2	Bifunctional 3′-phosphoadenosine 5′-phosphosulfate synthetase 2	9060	−73.8
5	1ivo	EGFR_HUMAN	EGFR	Epidermal growth factor receptor [Precursor]	1956	−67.4
6	2a73	CO3_HUMAN	C3	Complement C3 [Precursor]	718	−67.6
7	1ivo	EGF_HUMAN	EGF	Pro-epidermal growth factor [Precursor]	1950	−67.4
8	1xbt	KITH_HUMAN	TK1	Thymidine kinase, cytosolic	7083	−71
9	1w4r	KITH_HUMAN	TK1	Thymidine kinase, cytosolic	7083	−70.2
10	1l5q	PYGL_HUMAN	PYGL	Glycogen phosphorylase, liver form	5836	−68.8
11	1pl2	GSTA1_HUMAN	GSTA1	Glutathione S-transferase A1	2938	−65.1
12	1m5o	SNRPA_HUMAN	SNRPA	U1 small nuclear ribonucleoprotein A	6626	−74
13	1tl8	TOP1_HUMAN	TOP1	DNA topoisomerase 1	7150	−55.2
14	1rr8	TOP1_HUMAN	TOP1	DNA topoisomerase 1	7150	−62.1
15	1nd6	PPAP_HUMAN	ACPP	Prostatic acid phosphatase [Precursor]	55	−57.7
16	2c5n	CCNA2_HUMAN	CCNA2	Cyclin-A2	890	−72.2
17	2c6t	CCNA2_HUMAN	CCNA2	Cyclin-A2	890	−67.4
18	2c5x	CCNA2_HUMAN	CCNA2	Cyclin-A2	890	−73.8
19	1yah	EST1_HUMAN	CES1	Liver carboxylesterase 1 [Precursor]	1066	−68.3
20	2c5n	CDK2_HUMAN	CDK2	Cell division protein kinase 2	1017	−72.2
21	2c6t	CDK2_HUMAN	CDK2	Cell division protein kinase 2	1017	−67.4
22	2c5x	CDK2_HUMAN	CDK2	Cell division protein kinase 2	1017	−73.8
23	1sk6	CYAA_BACAN	cya	Calmodulin-sensitive adenylate cyclase [Precursor]	2820138	−63.3
24	1sk6	CYAA_BACAN	cya	Calmodulin-sensitive adenylate cyclase [Precursor]	3361726	−63.3
25	2a4z	PK3CG_HUMAN	PIK3CG	Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	5294	−61.2
26	1sa4	FNTA_HUMAN	FNTA	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	2339	−63.5
27	1sa4	FNTB_HUMAN	FNTB	Protein farnesyltransferase subunit beta	2342	−63.5
28	1h2v	NCBP2_HUMAN	NCBP2	Nuclear cap-binding protein subunit 2	22916	−61.2
29	2uym	KIF11_HUMAN	KIF11	Kinesin-like protein KIF11	3832	−58.8
30	1ko6	NUP98_HUMAN	NUP98	Nuclear pore complex protein Nup98-Nup96 [Precursor]	4928	−74.2
31	2i6a	ADK_HUMAN	ADK	Adenosine kinase	132	−66.6
32	2fdp	BACE1_HUMAN	BACE1	Beta-secretase 1 [Precursor]	23621	−70.2
33	2ic5	RAC3_HUMAN	RAC3	Ras-related C3 botulinum toxin substrate 3 [Precursor]	5881	−75.3
34	1sk6	CALM_HUMAN	CALM1	Calmodulin	801	−63.3
35	1sk6	CALM_HUMAN	CALM1	Calmodulin	808	−63.3
36	1sk6	CALM_HUMAN	CALM1	Calmodulin	805	−63.3
37	1 m63	PPIA_HUMAN	PPIA	Peptidyl-prolyl cis-trans isomerase A	5478	−81.3
38	1 m63	PPIA_HUMAN	PPIA	Peptidyl-prolyl cis-trans isomerase A	653214	−81.3
39	1 m63	PPIA_HUMAN	PPIA	Peptidyl-prolyl cis-trans isomerase A	654188	−81.3
40	1 m63	CANB1_HUMAN	PPP3R1	Calcineurin subunit B type 1	5534	−81.3
41	1y4v	HBB_HUMAN	HBB	Hemoglobin subunit beta	3043	−79.9
42	1y4g	HBB_HUMAN	HBB	Hemoglobin subunit beta	3043	−62.1
43	1y45	HBB_HUMAN	HBB	Hemoglobin subunit beta	3043	−57.1
44	1y85	HBB_HUMAN	HBB	Hemoglobin subunit beta	3043	−55.6
45	1rq3	HBB_HUMAN	HBB	Hemoglobin subunit beta	3043	−63
46	1y46	HBB_HUMAN	HBB	Hemoglobin subunit beta	3043	−59.4
47	1y7g	HBB_HUMAN	HBB	Hemoglobin subunit beta	3043	−71.9
48	1y4q	HBB_HUMAN	HBB	Hemoglobin subunit beta	3043	−73.6
49	1y4v	HBA_HUMAN	HBA1	Hemoglobin subunit alpha	3039	−79.9
50	1y4v	HBA_HUMAN	HBA1	Hemoglobin subunit alpha	3040	−79.9
51	1y4g	HBA_HUMAN	HBA1	Hemoglobin subunit alpha	3040	−62.1
52	1y4g	HBA_HUMAN	HBA1	Hemoglobin subunit alpha	3039	−62.1
53	1y45	HBA_HUMAN	HBA1	Hemoglobin subunit alpha	3040	−57.1
54	1y45	HBA_HUMAN	HBA1	Hemoglobin subunit alpha	3039	−57.1
55	1y85	HBA_HUMAN	HBA1	Hemoglobin subunit alpha	3040	−55.6
56	1y85	HBA_HUMAN	HBA1	Hemoglobin subunit alpha	3039	−55.6
57	1rq3	HBA_HUMAN	HBA1	Hemoglobin subunit alpha	3040	−63
58	1rq3	HBA_HUMAN	HBA1	Hemoglobin subunit alpha	3039	−63
59	1y46	HBA_HUMAN	HBA1	Hemoglobin subunit alpha	3040	−59.4
60	1y46	HBA_HUMAN	HBA1	Hemoglobin subunit alpha	3039	−59.4
61	1y7g	HBA_HUMAN	HBA1	Hemoglobin subunit alpha	3040	−71.9
62	1y7g	HBA_HUMAN	HBA1	Hemoglobin subunit alpha	3039	−71.9
63	1y4q	HBA_HUMAN	HBA1	Hemoglobin subunit alpha	3040	−73.6
64	1y4q	HBA_HUMAN	HBA1	Hemoglobin subunit alpha	3039	−73.6
65	1fro	LGUL_HUMAN	GLO1	Lactoylglutathione lyase	2739	−67.4
66	1 m63	PP2BA_HUMAN	PPP3CA	Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform	5530	−81.3
67	1h2v	NCBP1_HUMAN	NCBP1	Nuclear cap-binding protein subunit 1	4686	−61.2
68	2gk6	RENT1_HUMAN	UPF1	Regulator of nonsense transcripts 1	5976	−72.9
69	2ovp	FBXW7_HUMAN	FBXW7	F-box/WD repeat-containing protein 7	55294	−63.5
70	2pfo	DPOLL_HUMAN	POLL	DNA polymerase lambda	27343	−60.7
71	2 h16	ARL5A_HUMAN	ARL5A	ADP-ribosylation factor-like protein 5A	26225	−66.6
Rat
1	1cte	CATB_RAT	Ctsb	Cathepsin B [Precursor]	-	−65.8
2	1ewk	GRM1_RAT	Grm1	Metabotropic glutamate receptor 1 [Precursor]	24414	−68.6
3	1zzu	NOS1_RAT	Nos1	Nitric oxide synthase, brain	24598	−74.3
4	1rs6	NOS1_RAT	Nos1	Nitric oxide synthase, brain	24598	−76.2
5	1kzo	FNTB_RAT	Fntb	Protein farnesyltransferase subunit beta	64511	−67.4
6	2bed	FNTB_RAT	Fntb	Protein farnesyltransferase subunit beta	64511	−71.5
7	1kzo	FNTA_RAT	Fnta	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	25318	−67.4
Mouse
1	2ihm	DPOLM_MOUSE	Polm	DNA polymerase mu	54125	−59.2
2	1f3a	GSTA1_MOUSE	Gsta1	Glutathione S-transferase A1	14857	−63
3	2oi9	HA1L_MOUSE	H2-L	H-2 class I histocompatibility antigen, L-D alpha chain [Precursor]	-	−62.1
4	1iea	HA21_MOUSE	H2-Ea	H-2 class II histocompatibility antigen, E-D alpha chain [Precursor]	-	−66.5
5	1fng	HA22_MOUSE	-	H-2 class II histocompatibility antigen, E-K alpha chain [Precursor]	-	−66.1
6	1qom	NOS2_MOUSE	Nos2	Nitric oxide synthase, inducible	18126	−66.2
7	2gb4	TPMT_MOUSE	Tpmt	Thiopurine S-methyltransferase	22017	−57.5
8	2oi9	TVA1_MOUSE	-	T-cell receptor alpha chain V region PHDS58 [Precursor]

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