Caffeine
Caffeine is a methylxanthine alkaloid found in the seeds, nuts, or leaves of a number of plants native to South America and East Asia that acts as a natural pesticide. Structurally related to adenosine and acts primarily as an adenosine receptor antagonist with psychotropic and anti-inflammatory activities. Upon ingestion, caffeine binds to adenosine receptors in the central nervous system (CNS), which inhibits adenosine binding. This inhibits the adenosine-mediated downregulation of CNS activity; thus, stimulating the activity of the medullary, vagal, vasomotor, and respiratory centers in the brain. This agent also promotes neurotransmitter release that further stimulates the CNS. The anti-inflammatory effects of caffeine are due the nonselective competitive inhibition of phosphodiesterases (PDEs). Inhibition of PDEs raises the intracellular concentration of cyclic AMP (cAMP), activates protein kinase A, and inhibits leukotriene synthesis, which leads to reduced inflammation and innate immunity. Inhibitor of Notum.
General
Type : Purine, Alkaloid, Natural, Drug, Not AlphaBeta Hydrolase target
Chemical_Nomenclature : 1,3,7-trimethylpurine-2,6-dione
Canonical SMILES : CN1C=NC2=C1C(=O)N(C(=O)N2C)C
InChI : InChI=1S\/C8H10N4O2\/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2\/h4H,1-3H3
InChIKey : RYYVLZVUVIJVGH-UHFFFAOYSA-N
Other name(s) : 1,3,7-Trimethylxanthine || Guaranine || Thein || Methyltheobromine || Cafeina || Theine || Koffein || Mateina || Caffein || Coffeine || Caffedrine || Dexitac || Nodaca || 7-Methyltheophylline || Vivarin || 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione || Coffein || Phensal || Coffeinum || Tirend || 1,3,7-Trimethyl-2,6-dioxopurine || 1,3,7-Trimethylpurine-2,6-dione || 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl- || 1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione || Anacin || 1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione || CHEMBL113 || CFF || CHEBI:27732 || SCHEMBL5671 || FBT Fu Brick Theophylline
MW : 194.19
Formula : C8H10N4O2
CAS_number : 58-08-2
PubChem : 2519
UniChem : RYYVLZVUVIJVGH-UHFFFAOYSA-N
Wikipedia : Caffeine
Target
Families : Caffeine ligand of proteins in family
Pectinacetylesterase-Notum
Lipase_3
Structure :
6TV4
Protein :
human-NOTUM
rhimi-lipas
References (5)
| Title : Theophylline Extracted from Fu Brick Tea Affects the Metabolism of Preadipocytes and Body Fat in Mice as a Pancreatic Lipase Inhibitor - Liu_2022_Int.J.Mol.Sci_23_2525 |
| Author(s) : Liu TT , Liu XT , Huang GL , Liu L , Chen QX , Wang Q |
| Ref : Int J Mol Sci , 23 : , 2022 |
| Abstract : |
| PubMedSearch : Liu_2022_Int.J.Mol.Sci_23_2525 |
| PubMedID: 35269668 |
| Title : Neurological effects of acute exposure to caffeine and organophosphates in mice - Lukawski_2021_Pol.J.Vet.Sci_24_211 |
| Author(s) : Lukawski K , Raszewski G , Kruszynski K , Czuczwar SJ |
| Ref : Pol J Vet Sci , 24 :211 , 2021 |
| Abstract : |
| PubMedSearch : Lukawski_2021_Pol.J.Vet.Sci_24_211 |
| PubMedID: 34250774 |
| Title : Caffeine inhibits Notum activity by binding at the catalytic pocket - Zhao_2020_Commun.Biol_3_555 |
| Author(s) : Zhao Y , Ren J , Hillier J , Lu W , Jones EY |
| Ref : Commun Biol , 3 :555 , 2020 |
| Abstract : |
| PubMedSearch : Zhao_2020_Commun.Biol_3_555 |
| PubMedID: 33033363 |
| Gene_locus related to this paper: human-NOTUM |
| Title : Does caffeine influence the anticholinesterase and antioxidant properties of donepezil? Evidence from in vitro and in vivo studies - Oboh_2017_Metab.Brain.Dis_32_629 |
| Author(s) : Oboh G , Ogunsuyi OB , Olonisola OE |
| Ref : Metabolic Brain Disease , 32 :629 , 2017 |
| Abstract : |
| PubMedSearch : Oboh_2017_Metab.Brain.Dis_32_629 |
| PubMedID: 28091956 |
| Title : Caffeine inhibits acetylcholinesterase, but not butyrylcholinesterase - Pohanka_2013_Int.J.Mol.Sci_14_9873 |
| Author(s) : Pohanka M , Dobes P |
| Ref : Int J Mol Sci , 14 :9873 , 2013 |
| Abstract : |
| PubMedSearch : Pohanka_2013_Int.J.Mol.Sci_14_9873 |
| PubMedID: 23698772 |