胆固醇人类合成途径、酶及药物整理

3LD6-enzyme crystal drug-protein interaction with Ketoconazole
— 12 —
enzymes for the pathway
14. Sterol O-acyltransferase 1
Reactions:
Drugs:
DB01094 DB00973 Hesperetin Ezetimibe inhibitor inhibitor
—8—
and other 9 drugs
enzymes for the pathway
9. Squalene synthase
Reactions:
Drugs:
DB05317
TAK-475
unknown
1EZF-enzyme crystal Without drug
—9—
enzymes for the pathway
Reactions: Drugs:
unknow DB00741 Hydrocortisone n
DB01108
Trilostane
inhibitor
positive DB01536 Androstenedione allosteric modulator
2O23-structural analogues of 3 beta-hydroxysteroid dehydrogenase
— 11 —
enzymes for the pathway
12. Lanosterol 14-alpha demethylase
Reactions: Drugs:
DB01007 DB01167 Tioconazole inhibitor
Itraconazole Inhibitor
DB05667 Levoketoconazole and other 8 drugs
enzymes for the pathway
1. Cholesterol side-chain cleavage enzyme, mitochondrial
Reactions: Drugs:
DB00257 Clotrimazole inhibitor DB00338 Omeprazole inhibitor
Steroid Hormone Synthesis
85 drugs with 6 protein structures with drugs solved
contents
Bile Acid Synthesis
5 drugs with 3 protein structures with drugs solved
Reactions:
Drugs:
DB00630 Alendronic acid inhibitor
2DHO-enzyme crystal Without drug
—7—
enzymes for the pathway
8. Farnesyl pyrophosphate synthase
Reactions:
10. Squalene monooxygenase
Reactions: Drugs:
DB00735 Naftifine inhibitor
DB00857Leabharlann BaiduTerbinafine
DB01091 Butenafine DB04927 NM100060
inhibitor
inhibitor
6FHO-structural analogues of Squalene monooxygenase
DB00641
DB00439
Simvastatin
Cerivastatin And other 14 drugs
inhibitor
Inhibitor
1HW9-enzyme crystal drug-protein interaction with Simvastatin
—3—
enzymes for the pathway
P10460 4 drugs no structure P05093 P05093 5 drugs
P08686 1 drug
P15538 13 drugs
P08686
P15538
P05093
P05093
P28845
18 drugs
P10460
P11511 45 drugs 3 structures
—1—
— 10 —
DB08846 Ellagic Acid
inhibitor
enzymes for the pathway
11. Lanosterol synthase
Reactions:
Drugs:
DB02016
DB03696
R048-8071
Lanosterol
unknown
unknown
1W6J-enzyme crystal drug-protein interaction With R048-8071
4. Cytochrome P450 11B1, mitochondrial
Reactions: Drugs:
DB00196 Fluconazole inhibitor DB00252 Phenytoin inhibitor
DB00257 Clotrimazole inhibitor and other 10 drugs
Systematically organize data found
metabolism network known in homo sapiens
Cholesterol synthesis
bile acid syn steroid hormone syn
brief metabolism pathways of cholesterol and some feature molecules
anabolism cholesterol synthesis catabolism hormone synthesis
catabolism bile acid synthesis
cholesterol
Cholesterol Synthesis
32 drugs with 15 protein structures with drugs solved
Aminoglutethimide
DB00357
inhibitor
and other 10 drugs
3N9Y-enzyme crystal without drug
—2—
enzymes for the pathway
2. 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1
Omega-3-acid DB09539 inhibitor ethyl esters
5TXF-structural analogues of Sterol O-acyltransferase 1
— 13 —
steroid hormone synthesis
steroid hormone synthesis
98 drugs
6 protein crystal structures solved
steroid hormone synthesis
7 enzymes incredibly control the complex metabolism. 98 drugs
P05108 13 drugs
P15538
cholesterol synthesis
Q9BWD1 1 drug 1 structure Q01581 P04035 18 drugs 7 structures Q03426 1 drug Q15126 1 drug 1 structure P53602 1 drug 1 structure
P37268 1 drug Q14534 5 drugs no structure P48449 2 drugs 2 structures
Drugs Inventory
122 drugs with 24 protein structures with drugs solved
cholesterol synthesis
cholesterol synthesis
32 drugs 15 protein crystal structures solved
Reactions:
Drugs:
DB00282 Pamidronate inhibitor
2F89-enzyme crystal drug-protein interaction with Pamidronate
—5—
enzymes for the pathway
6. Diphosphomevalonate decarboxylase
a survey on drugs mediating
cholesterol metabolism
Steps:
Find out pathways directly linked to cholesterol Extract information of enzymes, protein structures and drugs
Reactions: Drugs:
DB00399 Zoledronic acid inhibitor
3N45-enzyme crystal drug-protein interaction Without Zoledronic acid
—6—
enzymes for the pathway
7. Isopentenyl-diphosphate Delta-isomerase 1
4DVQ-structural analogues of Cytochrome P450 11B1
—5—
enzymes for the pathway
5. Steroid 17-alpha-hydroxylase/17,20 lyase
Reactions:
Drugs:
DB00396 Progesterone inhibitor DB01233 Metoclopramide inhibitor DB01234 Dexamethasone inhibitor DB04630 Aldosterone Abiraterone inducer inhibitor
—2—
enzymes for the pathway
3. 3-hydroxy-3-methylglutaryl-coenzyme A reductase
Reactions:
Drugs:
DB00175 DB00227 Pravastatin Lovastatin inhibitor inhibitor
—1—
P35610 3 drugs no structure
enzymes for the pathway
1. Acetyl-CoA acetyltransferase, cytosolic
Reactions: Drugs:
DB01915 S-Hydroxycysteine unknown
1WL4-protein crystal drug-protein interaction with S-Hydroxycysteine
—3—
enzymes for the pathway
3. Steroid 21-hydroxylase
Reactions: Drugs:
DB01026 Ketoconazole unknown
4Y8W-enzyme crystal without drug
—4—
enzymes for the pathway
P14324
P14324 9 drugs 5 structures
Q13907 1 drug
Q16850 8 drugs 1 structure
P76062
The only two out of fourteen enzymes marked with blue are not drug targets.
Drugs:
DB00710 DB00884
Ibandronate Risedronate
inhibitor inhibitor
Dimethylallyl DB01785 Diphosphate unknown Isopentyl DB02508 Pyrophosphate unknown
2F94-enzyme crystal drug-protein interaction with Ibandronate
4. Mevalonate kinase
Reactions: Drugs:
FARNESYL DB04695 unknown THIOPYROPHOSPHATE
2R3V-enzyme crystal without drug
—4—
enzymes for the pathway
5. Phosphomevalonate kinase