Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1469)
Drug Name
Selenium
Synonyms
Selenium; Selenium alloy; Selenium and compounds; Selenium anhydride; Selenium base; Selenium dihydride; Selenium dust; Selenium elemental; Selenium homopolymer; Selenium hydride; Selenium metallicum; Selenium, colloidal; Selenium, elemental; Selenium, metallic; Vandex; selenio; 7782-49-2; CCRIS 4250; Caswell No. 732; EINECS 231-957-4; Colloidal selenium; Electronic E-2; Elemental selenium; Gray selenium; Hydrogen selenide (H2Se); SELENIUM ATOM; SELENIUM COMPOUNDS; SELENIUM POWDER; Selen [Polish]; HSDB 4493; Se; Selen; UNII-H6241UJ22B
Indication Seborrhoeic dermatitis [ICD11: EA81] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 78.97 Topological Polar Surface Area 0
Heavy Atom Count 1 Rotatable Bond Count 0
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 0
Cross-matching ID
PubChem CID
6326970
ChEBI ID
CHEBI:27568
CAS Number
7782-49-2
Formula
Se
Canonical SMILES
[Se]
InChI
1S/Se
InChIKey
BUGBHKTXTAQXES-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Glutathione conjugates DM001291 N. A. Conjugation - Conjugation 1 [2]
Selenide DM001292
107674
Reduction - Reduction 2 [2] , [3]
Selenocystein DM001293
6326972
Reduction - Reduction 3 [2] , [4] , [5]
Selenophosphate DM001297
137666
Reduction - Reduction 3 [6] , [7] , [8]
Methyl-selenol DM001296
6367216
Oxidation - Degradation 4 [2] , [9] , [10]
NH3 DM003052
222
Oxidation - Degradation 4 [2]
PYR DM000331
107735
Oxidation - Degradation 4 [2] , [11] , [12]
Selenocysteine selenoxidel DM001294 N. A. Oxidation - Oxidation 4 [2]
Methylselenic acid DM001295
161597
Oxidation - Degradation 5 [2]
NH3 DM003052
222
Oxidation - Degradation 5 [2]
PYR DM000331
107735
Oxidation - Degradation 5 [2]
⏷ Show the Full List of 11  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR002236 Selenium Glutathione conjugates Conjugation - Conjugation Unclear [2]
MR002226 Glutathione conjugates Selenide Reduction - Reduction TXNRD1 ... [2], [3]
MR002227 Selenide Selenocystein Reduction - Reduction Unclear [2], [4], [5]
MR002228 Selenide Selenophosphate Reduction - Reduction Unclear [6], [7], [8]
MR002229 Selenocystein Pyruvate Oxidation - Degradation SCLY [2], [11], [12]
MR002230 Selenocystein Selenocysteine selenoxidel Oxidation - Oxidation Unclear [2]
MR002231 Selenocystein Methyl-selenol Oxidation - Degradation SCLY [2], [9], [10]
MR002232 Selenocystein Ammonia Oxidation - Degradation SCLY [2]
MR002233 Selenocysteine selenoxidel Pyruvate Oxidation - Degradation Unclear [2]
MR002234 Selenocysteine selenoxidel Methylselenic acid Oxidation - Degradation Unclear [2]
MR002235 Selenocysteine selenoxidel Ammonia Oxidation - Degradation Unclear [2]
⏷ Show the Full List of 11 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Glutathione reductase (GSR) DME0110 Homo sapiens
GSHR_HUMAN
1.8.1.7
[2]
Selenocysteine lyase (SCLY) DME0211 Homo sapiens
SCLY_HUMAN
4.4.1.16
[2]
Thioredoxin reductase TR1 (TXNRD1) DME0210 Homo sapiens
TRXR1_HUMAN
1.8.1.9
[2]
References
1 Selenium was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Selenium metabolism, selenoproteins and mechanisms of cancer prevention: complexities with thioredoxin reductase. Carcinogenesis. 1999 Sep;20(9):1657-66.
3 New Insights into Oxidative and Reductive Stress Responses and Their Relation to the Anticancer Activity of Selenium-Containing Compounds as Hydrogen Selenide Donors. Biology (Basel). 2023 Jun 17;12(6):875. doi: 10.3390/biology12060875.
4 Biochemistry, Antioxidants. 2023 May 1. In: StatPearls [Internet]. Treasure Island (FL): StatPearls Publishing; 2023 JanC.
5 Enhanced selenocysteine biosynthesis for seleno-methylselenocysteine production in Bacillus subtilis. Appl Microbiol Biotechnol. 2023 May;107(9):2843-2854. doi: 10.1007/s00253-023-12482-8.
6 SEPHS1: Its evolution, function and roles in development and diseases. Arch Biochem Biophys. 2022 Nov 15;730:109426. doi: 10.1016/j.abb.2022.109426.
7 The selenophosphate synthetase family: A review. Free Radic Biol Med. 2022 Nov 1;192:63-76. doi: 10.1016/j.freeradbiomed.2022.09.007.
8 Constitutive Oxidative Stress by SEPHS1 Deficiency Induces Endothelial Cell Dysfunction. Int J Mol Sci. 2021 Oct 28;22(21):11646. doi: 10.3390/ijms222111646.
9 Antitumor Effects of Selenium. Int J Mol Sci. 2021 Oct 31;22(21):11844. doi: 10.3390/ijms222111844.
10 Exposure to the Methylselenol Precursor Dimethyldiselenide Induces a Reductive Endoplasmic Reticulum Stress in Saccharomyces cerevisiae. Int J Mol Sci. 2021 May 22;22(11):5467. doi: 10.3390/ijms22115467.
11 Effects of Selenium Enrichment on Dough Fermentation Characteristics of Baker's Yeast. Foods. 2023 Jun 11;12(12):2343. doi: 10.3390/foods12122343.
12 Multiomics understanding of improved quality in cherry radish (Raphanus sativus L. var. radculus pers) after foliar application of selenium nanomaterials. Sci Total Environ. 2022 Jun 10;824:153712. doi: 10.1016/j.scitotenv.2022.153712.

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