Methyldopa (BioDeep_00000408860)

Main id: BioDeep_00000000741

 

PANOMIX_OTCML-2023


代谢物信息卡片


1H-INDAZOLE-3,6-DICARBOXYLICACID,6-METHYLESTER

化学式: C10H13NO4 (211.0844538)
中文名称: 3-(3,4-二羟基苯基)-2-甲基-L-丙氨酸倍半水合物, 3-(3,4-二羟基苯基)-2-甲基-l-丙氨酸, α-甲基-DL-β-3,4-二羟基苯丙氨酸, 甲基多巴
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N
InChI: InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/t10-/m0/s1

描述信息

CONFIDENCE standard compound; INTERNAL_ID 1284; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1003; ORIGINAL_PRECURSOR_SCAN_NO 1001
C - Cardiovascular system > C02 - Antihypertensives > C02A - Antiadrenergic agents, centrally acting > C02AB - Methyldopa
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent
D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist
CONFIDENCE standard compound; INTERNAL_ID 1284; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1000; ORIGINAL_PRECURSOR_SCAN_NO 997
CONFIDENCE standard compound; INTERNAL_ID 1284; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 999; ORIGINAL_PRECURSOR_SCAN_NO 998
CONFIDENCE standard compound; INTERNAL_ID 1284; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 998; ORIGINAL_PRECURSOR_SCAN_NO 996
CONFIDENCE standard compound; INTERNAL_ID 1284; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1004; ORIGINAL_PRECURSOR_SCAN_NO 1001
CONFIDENCE standard compound; INTERNAL_ID 1284; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 996; ORIGINAL_PRECURSOR_SCAN_NO 994
CONFIDENCE standard compound; INTERNAL_ID 1284; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1895; ORIGINAL_PRECURSOR_SCAN_NO 1893
CONFIDENCE standard compound; INTERNAL_ID 1284; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1905; ORIGINAL_PRECURSOR_SCAN_NO 1903
CONFIDENCE standard compound; INTERNAL_ID 1284; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1906; ORIGINAL_PRECURSOR_SCAN_NO 1904
CONFIDENCE standard compound; INTERNAL_ID 1284; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1906; ORIGINAL_PRECURSOR_SCAN_NO 1903
Methyldopa (L-(-)-α-Methyldopa), a potent antihyoertensive agent, is an alpha-adrenergic agonist (selective for α2-adrenergic receptors). Methyldopa is a proagent and is metabolized (α-Methylepinephrine) in the central nervous system[1][2].

同义名列表

5 个代谢物同义名

1H-INDAZOLE-3,6-DICARBOXYLICACID,6-METHYLESTER; 3-Hydroxy-alpha-methyl-DL-tyrosine; Methyldopa; L-(-)-α-Methyldopa; MK-351



数据库引用编号

33 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

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代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

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PharmGKB(0)

0 个相关的物种来源信息

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

  • PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
  • NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
  • Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
  • Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。



文献列表

  • Agustin B Actis Dato, Valeria R Martinez, Jorge O Velez Rueda, Enrique L Portiansky, Verónica De Giusti, Evelina G Ferrer, Patricia A M Williams. Improvement of the cardiovascular effect of methyldopa by complexation with Zn(II): Synthesis, characterization and mechanism of action. Journal of trace elements in medicine and biology : organ of the Society for Minerals and Trace Elements (GMS). 2023 Oct; 81(?):127327. doi: 10.1016/j.jtemb.2023.127327. [PMID: 37890445]
  • Yasser H Habib, Mennatallah A Gowayed, Sherien A Abdelhady, Nevine M El-Deeb, Inas E Darwish, Mahmoud M El-Mas. Modulation by antenatal therapies of cardiovascular and renal programming in male and female offspring of preeclamptic rats. Naunyn-Schmiedeberg's archives of pharmacology. 2021 11; 394(11):2273-2287. doi: 10.1007/s00210-021-02146-7. [PMID: 34468816]
  • Yasser H Habib, Sherien A Abdelhady, Mennatallah A Gowayed, Nevine M El-Deeb, Inas E Darwish, Mahmoud M El-Mas. Prenatal endothelin or thromboxane receptor antagonism surpasses sympathoinhibition in improving cardiorenal malfunctions in preeclamptic rats. Toxicology and applied pharmacology. 2021 09; 426(?):115615. doi: 10.1016/j.taap.2021.115615. [PMID: 34102242]
  • Zeid A ALOthman, Khalid M Alsheetan, Hassan Y Aboul-Enein, Imran Ali. Applications of shun shell column and nanocomposite sorbent for analysis of eleven anti-hypertensive in human plasma. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2020 Jun; 1146(?):122125. doi: 10.1016/j.jchromb.2020.122125. [PMID: 32371329]
  • Nagalakshmamma Vadabingi, Vijaya Kumar Reddy Avula, Grigory V Zyryanov, Swetha Vallela, Jaya Shree Anireddy, Visweswara Rao Pasupuleti, Venkataswamy Mallepogu, Naga Raju Chamarthi, Venkata Chalapathi Ponne. Multiple molecular targets mediated antioxidant activity, molecular docking, ADMET, QSAR and bioactivity studies of halo substituted urea derivatives of α-Methyl-l-DOPA. Bioorganic chemistry. 2020 04; 97(?):103708. doi: 10.1016/j.bioorg.2020.103708. [PMID: 32146177]
  • Xuemin Huang, Huanan Zhao, Wen Qiu, Jian Wang, Longhua Guo, Zhenyu Lin, Wei Pan, Yong Wu, Bin Qiu. A fluorescence signal amplification strategy for modification-free ratiometric determination of tyrosinase in situ based on the use of dual-templated copper nanoclusters. Mikrochimica acta. 2020 03; 187(4):240. doi: 10.1007/s00604-020-4186-y. [PMID: 32198661]
  • Tobie D Lee, Olivia W Lee, Kyle R Brimacombe, Lu Chen, Rajarshi Guha, Sabrina Lusvarghi, Bethilehem G Tebase, Carleen Klumpp-Thomas, Robert W Robey, Suresh V Ambudkar, Min Shen, Michael M Gottesman, Matthew D Hall. A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology. 2019 11; 96(5):629-640. doi: 10.1124/mol.119.115964. [PMID: 31515284]
  • Snigdha Reddy, Belinda Jim. Hypertension and Pregnancy: Management and Future Risks. Advances in chronic kidney disease. 2019 03; 26(2):137-145. doi: 10.1053/j.ackd.2019.03.017. [PMID: 31023448]
  • Nahid Shahabadi, Maryam Maghsudi, Farshad Shiri. Application of a fluorescent biosensor based-on magneto-γ-Fe2 O3 -methyldopa nanoparticles for adsorption of human serum albumin. Luminescence : the journal of biological and chemical luminescence. 2016 Jun; 31(4):937-44. doi: 10.1002/bio.3053. [PMID: 26542088]
  • Berit Woetmann Pedersen, Lene Ringholm, Peter Damm, Ann Tabor, Kirsten Søgaard, Ellinor Hellmuth, Elisabeth R Mathiesen. Stable fetal hemodynamics measured by Doppler flow after initiation of anti-hypertensive treatment with methyldopa in pregnant women with diabetes. The journal of maternal-fetal & neonatal medicine : the official journal of the European Association of Perinatal Medicine, the Federation of Asia and Oceania Perinatal Societies, the International Society of Perinatal Obstetricians. 2016; 29(4):550-3. doi: 10.3109/14767058.2015.1010198. [PMID: 25655528]
  • Samy Emara, Tsutomu Masujima, Walaa Zarad, Maha Kamal, Marwa Fouad, Ramzia El-Bagary. An Eco-Friendly Direct Injection HPLC Method for Methyldopa Determination in Serum by Mixed-Mode Chromatography Using a Single Protein-Coated Column. Journal of chromatographic science. 2015 Sep; 53(8):1353-60. doi: 10.1093/chromsci/bmv024. [PMID: 25834172]
  • Nahid Shahabadi, Maryam Maghsudi, Leila Nemati. Design of green magneto-fluorescent γ-Fe2O3-methyldopa conjugate nanocrystal as a targeted probe for monitoring of esterase activity. Journal of photochemistry and photobiology. B, Biology. 2015 Aug; 149(?):215-23. doi: 10.1016/j.jphotobiol.2015.05.021. [PMID: 26093233]
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  • Behzad Rezaei, Neda Askarpour, Ali A Ensafi. Adsorptive stripping voltammetry determination of methyldopa on the surface of a carboxylated multiwall carbon nanotubes modified glassy carbon electrode in biological and pharmaceutical samples. Colloids and surfaces. B, Biointerfaces. 2013 Sep; 109(?):253-8. doi: 10.1016/j.colsurfb.2013.04.004. [PMID: 23665091]
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  • Daniel J Warner, Hongming Chen, Louis-David Cantin, J Gerry Kenna, Simone Stahl, Clare L Walker, Tobias Noeske. Mitigating the inhibition of human bile salt export pump by drugs: opportunities provided by physicochemical property modulation, in silico modeling, and structural modification. Drug metabolism and disposition: the biological fate of chemicals. 2012 Dec; 40(12):2332-41. doi: 10.1124/dmd.112.047068. [PMID: 22961681]
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  • Sakineh Esfandiari Baghbamidi, Hadi Beitollahi, Hassan Karimi-Maleh, Somayeh Soltani-Nejad, Vahhab Soltani-Nejad, Sara Roodsaz. Modified carbon nanotube paste electrode for voltammetric determination of carbidopa, folic Acid, and tryptophan. Journal of analytical methods in chemistry. 2012; 2012(?):305872. doi: 10.1155/2012/305872. [PMID: 22666634]
  • Myla E Moretti, Daniela Caprara, Irina Drehuta, Emily Yeung, Stefanie Cheung, Lisa Federico, Gideon Koren. The Fetal Safety of Angiotensin Converting Enzyme Inhibitors and Angiotensin II Receptor Blockers. Obstetrics and gynecology international. 2012; 2012(?):658310. doi: 10.1155/2012/658310. [PMID: 22203847]
  • S Lamina, G C Okoye. Therapeutic effect of a moderate intensity interval training program on the lipid profile in men with hypertension: a randomized controlled trial. Nigerian journal of clinical practice. 2012 Jan; 15(1):42-7. doi: 10.4103/1119-3077.94096. [PMID: 22437088]
  • Sarah Dawson, Simone Stahl, Nikki Paul, Jane Barber, J Gerald Kenna. In vitro inhibition of the bile salt export pump correlates with risk of cholestatic drug-induced liver injury in humans. Drug metabolism and disposition: the biological fate of chemicals. 2012 Jan; 40(1):130-8. doi: 10.1124/dmd.111.040758. [PMID: 21965623]
  • Isabela da Costa César, Ricardo Martins Duarte Byrro, Fabiana Fernandes de Santana e Silva Cardoso, Iram Moreira Mundim, Leonardo de Souza Teixeira, Enikson Pontes da Silva, Sandro Antônio Gomes, Ricardo Rodrigues Bonfim, Gerson Antônio Pianetti. Simultaneous quantitation of levodopa and 3-O-methyldopa in human plasma by HPLC-ESI-MS/MS: application for a pharmacokinetic study with a levodopa/benserazide formulation. Journal of pharmaceutical and biomedical analysis. 2011 Dec; 56(5):1094-100. doi: 10.1016/j.jpba.2011.07.040. [PMID: 21856105]
  • Ammar Al-Chalabi, Pamela J Shaw, Carolyn A Young, Karen E Morrison, Caroline Murphy, Marie Thornhill, Joanna Kelly, I Nicholas Steen, P Nigel Leigh. Protocol for a double-blind randomised placebo-controlled trial of lithium carbonate in patients with amyotrophic lateral sclerosis (LiCALS) [Eudract number: 2008-006891-31]. BMC neurology. 2011 Sep; 11(?):111. doi: 10.1186/1471-2377-11-111. [PMID: 21936930]
  • Thomas Müller, Constanze Jugel, Reinhard Ehret, Georg Ebersbach, Gunar Bengel, Siegfried Muhlack, Fabian Klostermann. Elevation of total homocysteine levels in patients with Parkinson's disease treated with duodenal levodopa/carbidopa gel. Journal of neural transmission (Vienna, Austria : 1996). 2011 Sep; 118(9):1329-33. doi: 10.1007/s00702-011-0614-9. [PMID: 21359971]
  • Isabela Costa César, Ricardo Martins Duarte Byrro, Fabiana Fernandes Santana E Silva Cardoso, Iram Moreira Mundim, Leonardo Souza Teixeira, Sandro Antônio Gomes, Ricardo Rodrigues Bonfim, Gerson Antônio Pianetti. Development and validation of a high-performance liquid chromatography-electrospray ionization-MS/MS method for the simultaneous quantitation of levodopa and carbidopa in human plasma. Journal of mass spectrometry : JMS. 2011 Sep; 46(9):943-8. doi: 10.1002/jms.1973. [PMID: 21915959]
  • Alexey E Poliakov, Anastasia V Dumshakova, Svetlana V Muginova, Tatiana N Shekhovtsova. A peroxidase-based method for the determination of dopamine, adrenaline, and α-methyldopa in the presence of thyroid hormones in pharmaceutical forms. Talanta. 2011 May; 84(3):710-6. doi: 10.1016/j.talanta.2011.01.074. [PMID: 21482272]
  • Sikiru Lamina. Comparative effect of interval and continuous training programs on serum uric acid in management of hypertension: a randomized controlled trial. Journal of strength and conditioning research. 2011 Mar; 25(3):719-26. doi: 10.1519/jsc.0b013e3181d09edf. [PMID: 20574413]
  • F Bugamelli, C Marcheselli, E Barba, M A Raggi. Determination of L-dopa, carbidopa, 3-O-methyldopa and entacapone in human plasma by HPLC-ED. Journal of pharmaceutical and biomedical analysis. 2011 Feb; 54(3):562-7. doi: 10.1016/j.jpba.2010.09.042. [PMID: 21035976]
  • Wan Fung Kum, Siva Sundara Kumar Durairajan, Zhao Xiang Bian, Sui Cheung Man, Yuen Chi Lam, Li Xia Xie, Jia Hong Lu, Yan Wang, Xian Zhang Huang, Min Li. Treatment of idiopathic Parkinson's disease with traditional chinese herbal medicine: a randomized placebo-controlled pilot clinical study. Evidence-based complementary and alternative medicine : eCAM. 2011; 2011(?):724353. doi: 10.1093/ecam/nep116. [PMID: 19692449]
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  • João Tadeu Damian Souto Filho, Philipe Vianna de Barros, Aline Maria Yamaguti Rios Paes da Silva, Fernanda Alves Barbosa, Gustavo Fernandes Ribas. Thrombotic thrombocytopenic purpura associated with mixed connective tissue disease: a case report. Case reports in medicine. 2011; 2011(?):953890. doi: 10.1155/2011/953890. [PMID: 21915182]
  • Philip A Kithas, Mark A Supiano. Practical recommendations for treatment of hypertension in older patients. Vascular health and risk management. 2010 Aug; 6(?):561-9. doi: 10.2147/vhrm.s5245. [PMID: 20730072]
  • Shu-Fang Li, Hai-Long Wu, Yong-Jie Yu, Yuan-Na Li, Jin-Fang Nie, Hai-Yan Fu, Ru-Qin Yu. Quantitative analysis of levodopa, carbidopa and methyldopa in human plasma samples using HPLC-DAD combined with second-order calibration based on alternating trilinear decomposition algorithm. Talanta. 2010 May; 81(3):805-12. doi: 10.1016/j.talanta.2010.01.019. [PMID: 20298857]
  • Alex Avdeef, Kin Y Tam. How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability?. Journal of medicinal chemistry. 2010 May; 53(9):3566-84. doi: 10.1021/jm901846t. [PMID: 20373811]
  • Zsófia Ozsvár, Zsuzsa Solymossi, Katalin Monostory. [Methyldopa-induced acute reactive hepatitis in pregnancy, drug-metabolizing capacity of the liver]. Orvosi hetilap. 2010 Mar; 151(11):457-61. doi: 10.1556/oh.2010.28736. [PMID: 20211808]
  • Hadi Valizadeh, Mahboob Nemati, Somayeh Hallaj-Nezhadi, Masood Ansarin, Parvin Zakeri-Milani. Single dose bioequivalence study of alpha-methyldopa tablet formulations using a modified HPLC method. Arzneimittel-Forschung. 2010; 60(10):607-11. doi: 10.1055/s-0031-1296333. [PMID: 21125810]
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