Medicinal chemistry

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Organisms

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Organisms

Homo sapiens (53)
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soil metagenome (1)

Repository

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Disease

Disease free (3)
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COVID-19 (1)
Colon cancer (1)
Lung adenocarcinoma (1)
Lymphoma (1)
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Non-small cell lung carcinoma (1)
Sarcoma (1)

Technology Type

Mass Spectrometry (49)
Bottom-up proteomics (17)
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Affinity purification coupled with mass spectrometry proteomics (4)
MSE (3)
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HDMSE (1)

Instrument Platform

Liquid Chromatography MS - positive - reverse phase (4)
Agilent High resolution C scanner (2)
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Thermo Scientific instrument model|1000494 (1)
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SYNAPT HDMS (Waters) (1)
Liquid Chromatography MS - positive (1)
Liquid Chromatography MS - negative - hilic (1)
Liquid Chromatography MS - positive - hilic (1)

Publication Date

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2025 (18)
2020 (11)
2021 (8)
2024 (7)
2018 (6)
2015 (4)
2022 (4)
2023 (3)
2019 (3)
2012 (2)
2017 (2)

CHEBI ID

CHEBI:16802 (3)
CHEBI:16708 (3)
CHEBI:15741 (3)
CHEBI:16566 (3)
CHEBI:16919 (3)
CHEBI:35280 (3)
CHEBI:18089 (3)
CHEBI:3337 (2)
CHEBI:28229 (2)
CHEBI:28600 (2)
CHEBI:8196 (2)
CHEBI:17890 (2)
CHEBI:78951 (2)
CHEBI:60872 (2)
CHEBI:30831 (2)
CHEBI:18292 (2)
CHEBI:18305 (2)
CHEBI:1387 (2)
CHEBI:16717 (2)
CHEBI:28718 (2)
CHEBI:17312 (2)
CHEBI:89825 (2)
CHEBI:18066 (2)
CHEBI:33569 (2)
CHEBI:15765 (2)
CHEBI:29052 (2)
CHEBI:16450 (2)
CHEBI:18053 (2)
CHEBI:15721 (2)
CHEBI:38068 (1)

Metabolite Name

Deoxyuridine (3)
Adenine (3)
Xanthine (3)
Spinacetin 3-glucoside (2)
Egonol (2)
Hydrojuglone glucoside (2)
Sayanedin (2)
(S)-Bitalin A 12-glucoside (2)
5-De-O-methyltoddanol (2)
3-[(3-Methylbutyl)nitrosoamino]-2-butanone (2)
Methyl benzoate (2)
Isolimocitrol 3-glucoside (2)
7-Hydroxyterpineol 8-glucoside (2)
4-p-Coumaroyl-1,5-quinolactone (2)
Cis-10-Hydroxylinalyl oxide 7-glucoside (2)
4-tert-Butylphenyl salicylate (2)
Cubebinone (2)
26-Methyl nigranoate (2)
Glicoisoflavanone (2)
Isoplumbagin (2)
7-Hydroxybutylidenephthalide 7-(6-malonylglucoside) (2)
7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid 7-glucoside (2)
(E)-10-Hydroxy-8-decenoic acid (2)
N-Phenyl-2-naphthylamine (2)
Kievitone hydrate (2)
Dihydroisorhamnetin (2)
Oleacein (2)
Zeanoside C (2)
Citrusin F (2)
(3S,5R,6S,7E,9x)-7-Megastigmene-3,6,9-triol 9-glucoside (2)

First Public Date

2026 (15)
2025 (12)
2014 (11)
2020 (8)
2019 (8)
2024 (6)
2023 (6)
2015 (6)
2022 (5)
2018 (5)
2021 (3)
2017 (2)
2016 (2)
2013 (1)

Modelling Approach

Computational model (2)

Lab affiliation

Department of Medicinal Chemistry, University of Washington (3)
1. Research Institute for Medical and Health Sciences, University of Sharjah, Sharjah, United Arab Emirates. 2. College of Pharmacy, Department of Medicinal Chemistry, University of Sharjah, United Arab Emirates (2)
Borch Department of Medicinal Chemistry and Molecular Pharmacology, Purdue University, West Lafayette, Indiana 47907, United States Purdue Institute for Integrative Neuroscience, Purdue University, West Lafayette, Indiana 47907, United States (2)
Department of Chemistry, University of North Carolina at Chapel Hill, Chapel Hill, NC, United States (2)
The Drug Discovery Lab, Mary S. Easton Center for Alzheimer’s Disease Research, Department of Neurology, David Geffen School of Medicine, 710 Westwood Plaza, University of California Los Angeles, Los Angeles, CA 90095, USA (2)
University of North Carolina at Chapel Hill, Department of Chemistry (2)
1. Research Institute for Medical and Health Sciences, University of Sharjah, Sharjah 27272, United Arab Emirates. 2. College of Pharmacy, Department of Medicinal Chemistry, University of Sharjah, 27272, United Arab Emirates (1)
Assistant Professor, Chemistry and Biochemistry, Biological Chemistry Member, Biochemistry, Biophysics & Structural Biology GPB Home Area (1)
Biological Chemistry, Chemistry and Biochemistry, UCLA (1)
Biological Chemistry, Chemistry and Biochemistry, UCLA,Los Angeles, California, USA (1)
Borch Department of Medicinal Chemistry and Molecular Pharmacology, Purdue University, West Lafayette, Indiana 47907, United States Purdue Institute for Integrative Neuroscience, Purdue University, West Lafayette, Indiana 47907, United States (1)
Chair of Proteomics and Bioanalytics, Technische Universität München, Germany (1)
Coordinator and principal investigator at the Center for Medicinal Chemistry (CQMED). Also, principal investigator at the Center for Molecular Biology and Genetic Engineering. São Paulo, Brazil. (1)
Department of Analytical Chemistry, University of Vienna, Austria (1)
Department of Biochemistry and Chemistry, LIMS, La Trobe University, Kingsbury Drive, Bundoora, Vic 3086, Australia (1)
Department of Chemistry, Univeristy of North Carolina at Chapel Hill (1)
Department of Chemistry, University of North Carolina at Chapel Hiil, USA (1)
Department of Chemistry, University of Reading, UK (1)
Department of Medicinal Chemistry University of Utah United States (1)
Department of Medicinal Chemistry and Molecular Pharmacology, Purdue University, West Lafayette, IN47907 (1)
Department of Medicinal Chemistry, College of Pharmacy, University of Sharjah (1)
Department of Medicinal Chemistry, University of Michigan (1)
Department of Medicinal Chemistry, University of Michigan, United States of America (1)
Department of Medicinal Chemistry, University of Minnesota (1)
Department of Medicinal Chemistry, University of Washington, Seattle, WA 98195, USA (1)
Department of Pharmaceutical/Medicinal Chemistry, Institute of Pharmacy, Friedrich Schiller University Jena, Philosophenweg 14, 07743 Jena, Germany (1)
Division of Chemical Biology and Medicinal Chemistry, Center for Integrative Chemical Biology and Drug Discovery, UNC Eshelman School of Pharmacy Lineberger Comprehensive Cancer Center Department of Biochemistry and Biophysics University of North Carolina, Chapel Hill, NC, USA (1)
Dr. Hannes C.A. Drexler Bioanalytical Mass Spectrometry Max Planck Institute for Molecular Biomedicine Röntgenstr. 20 48149 Münster P:+49-251-70365550 P:+49-251-70365521 F:+49-251-70365299 (1)
Institute for Research in Biomedicine (IRB Barcelona) Barcelona Institute of Science and Technology (BIST) (1)
Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences and Peking Union Medical School (1)

IsPrivate

False (2)

Submitter Keywords

Ersilia (2)
FAIR-AIML (2)
Machine Learning Model (2)

Classification

bacteria (3)
fungi (1)
viruses (1)

Modification

Not available (1)

Study type

Animal - One-color microarray (1)
Transcription profiling by array (1)

Release Date

2022 (2989)
2023 (2644)
2021 (2576)
2025 (2365)
2024 (2351)
2020 (2247)
2019 (1759)
2018 (1649)
2017 (1411)
2016 (1304)
2015 (1267)
2014 (1232)
2013 (1076)
2012 (1032)
2011 (858)
2010 (677)
2009 (507)
2008 (403)
2026 (355)
2007 (201)
2006 (148)
2005 (82)
2004 (45)
2003 (25)
2002 (18)
2001 (13)
2000 (11)
1999 (9)
1998 (7)
1997 (3)

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Employing fingerprinting of medicinal plants by means of LC-MS and machine learning for species identification task

A dataset of liquid chromatography-mass spectrometry measurements of medicinal plant extracts from 76 species was generated and used for training and validating plant species identification algorithms. Various strategies for data handling and feature space selection were tested. Constrained Tucke...

2022-04-15 | MTBLS688 | MetaboLights

Effects of intercropping of forest and herb on poplar soil, effects of medicinal crops and analysis of physical and chemical properties

Forest-herb intercropping is an important model of compound management of forest resources. It refers to the rational planting of Chinese medicinal materials under or between poplar artificial forests. By building a forest-herb symbiotic ecosystem, efficien...

2026-04-15 | MTBLS14284 | MetaboLights

Urea Derivatives in Modern Drug Discovery and Medicinal Chemistry.

Not available

S-EPMC7266097 | biostudies-literature

The medicinal chemistry of Chikungunya virus.

Not available

S-EPMC7126832 | biostudies-literature

Halogenase engineering and its utility in medicinal chemistry.

Not available

S-EPMC5964047 | biostudies-literature

The Essential Medicinal Chemistry of Curcumin.

Not available