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PloS one, ISSN 1932-6203, 2018, Volume 13, Issue 11, pp. e0207671 - e0207671
Journal Article
Journal of labelled compounds & radiopharmaceuticals, ISSN 0362-4803, 8/2017, Volume 60, Issue 10, pp. 460 - 465
JD5037 ( 1 ) is a potent and selective, peripherally acting inverse agonist of the cannabinoid (CB 1 R) receptor. Peripheral CB 1 receptor antagonists/inverse... 
ADME | CB1R | PSA
Journal Article
Cancer Chemotherapy and Pharmacology, ISSN 0344-5704, 04/2019, Volume 83, Issue 4, pp. 787 - 795
Vistusertib is an orally bioavailable dual target of rapamycin complex (TORC) 1/2 kinase inhibitor currently under clinical investigation in various solid... 
AZD2014 | Vistusertib | Phase I | Metabolism | ADME | Solid malignancies
Journal Article
International Journal of Pharmaceutics, ISSN 0378-5173, 10/2018, Volume 549, Issue 1-2, pp. 133 - 149
Many studies have shown that toxicities of anticancer drugs and their adverse effects are related to their chemical structure and high molecular weight that... 
Anticancer drug | Adverse drug reactions | Metabolites | Toxicity | ADME
Journal Article
XENOBIOTICA, ISSN 0049-8254, 08/2019, Volume 49, Issue 8, pp. 953 - 960
1. Leniolisib is a novel oral phosphatidylinositol-3-kinase (PI3K) delta inhibitor, currently in clinical development for the treatment of inflammatory and... 
human ADME | ACID | RAT | ADME | CDZ173 | fluorine NMR | phosphatidylinositol-3-kinase (PI3K) delta inhibitor | MASS-BALANCE | SPECTROSCOPY | F-19 NMR | PHARMACOLOGY & PHARMACY | TOXICOLOGY | metabolite identification | Leniolisib
Journal Article
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, ISSN 1386-1425, 09/2019, Volume 220, p. 117102
Quantum chemical analyses were performed over enrofloxacin and boron complexes. The most stable isomer of enrofloxacin was examined at M062X/6-31+G(d) level in... 
Modelling studies | ADME | NLO properties | Biological activity | Molecular docking
Journal Article
Regulatory Toxicology and Pharmacology, ISSN 0273-2300, 11/2019, Volume 108, pp. 104438 - 104438
Herein, we publish data from regulatory studies investigating the oral ADME (absorption, distribution, metabolism, excretion) of tricyclazole in , and . The... 
Comparative metabolism | Safety assessment | ADME | Tricyclazole | Index Medicus
Journal Article
Clinical pharmacology and therapeutics, ISSN 0009-9236, 4/2018, Volume 103, Issue 4, pp. 619 - 630
Protein quantification data on drug metabolizing enzymes and transporters (collectively referred as DMET proteins) in human tissues are useful in predicting... 
ADME | interindividual variability | drug metabolism | drug transport | quantitative proteomics
Journal Article
Methods in Molecular Biology, ISSN 1064-3745, 2019, Volume 1939, pp. 139 - 159
Knowing the physicochemical and general biochemical properties of a compound is critical to understanding how it behaves in different biological environments... 
Data curation | Regression | QSPR | ADME | QSAR | Index Medicus
Journal Article
Journal of Labelled Compounds and Radiopharmaceuticals, ISSN 0362-4803, 08/2018, Volume 61, Issue 10, pp. 773 - 779
Cannabinoid-1 receptor (CB R) antagonists/inverse agonists have great potential in the treatment of metabolic disorders like dyslipidemia, type 2 diabetes, and... 
R CB | iNOS | DMPK | NASH | ADME | PSA
Journal Article
Synthetic Communications, ISSN 0039-7911, 03/2019, Volume 49, Issue 6, pp. 844 - 851
The medications in use for treating migraine are directed either towards inhibiting the characteristic migraine pain or towards preventing it from occurring.... 
1B | in silico ADME | cyanopyridones | receptor | Antimigraine | Serotonin 5-HT
Journal Article
Synthetic Communications, ISSN 0039-7911, 03/2019, Volume 49, Issue 6, pp. 844 - 851
Journal Article
European Journal of Medicinal Chemistry, ISSN 0223-5234, 10/2016, Volume 121, pp. 864 - 879
Currently available drugs against Alzheimer's disease (AD) are only able to ameliorate the disease symptoms resulting in a moderate improvement in memory and... 
Human acetylcholinesterase | MAO-A | Molecular modeling | Human butyrylcholinesterase | Metal chelating properties | ADME+T properties | Antioxidant properties | MAO-B | Alzheimer's disease | Molecular docking | CHEMISTRY, MEDICINAL | ALZHEIMERS-DISEASE | CHOLINESTERASE-INHIBITORS | SEROTONIN 5-HT1A | DRUGS | POTENTIAL TREATMENT | NITRIC-OXIDE | FORCE-FIELD | OXIDASE-INHIBITORS | ADME plus T properties | RATIONAL DESIGN | HYBRIDS | Antioxidants - chemistry | Antioxidants - metabolism | Humans | Structure-Activity Relationship | Monoamine Oxidase Inhibitors - chemical synthesis | Monoamine Oxidase - chemistry | Piperidines - pharmacology | Drug Design | Indans - chemistry | Monoamine Oxidase Inhibitors - pharmacology | Piperidines - chemistry | Chemistry Techniques, Synthetic | Piperidines - metabolism | Chelating Agents - chemistry | Indans - metabolism | Acetylcholinesterase - chemistry | Antioxidants - chemical synthesis | Antioxidants - pharmacology | Chelating Agents - pharmacology | Piperidines - chemical synthesis | Monoamine Oxidase Inhibitors - metabolism | Indans - chemical synthesis | Protein Conformation | Molecular Docking Simulation | Monoamine Oxidase Inhibitors - chemistry | Chelating Agents - chemical synthesis | Chelating Agents - metabolism | Acetylcholinesterase - metabolism | Indans - pharmacology | Monoamine Oxidase - metabolism | Antioxidants | Enzymes | Monoamine oxidase | Analysis | Models | Drug discovery | Target marketing | Index Medicus
Journal Article
Bioorganic Chemistry, ISSN 0045-2068, 10/2019, Volume 91, pp. 103153 - 103153
Three-dimensional binding mode of compounds and in the enzyme active site of CA I (CA I PDB Code: 1AZM) and CA II (CA II PDB Code: 3HS4), respectively. New... 
Cytotoxicity | Sulfonamide | Carbonic anhydrase | ADME | Molecular docking | Index Medicus
Journal Article
Expert Opinion on Drug Metabolism and Toxicology, ISSN 1742-5255, 09/2010, Volume 6, Issue 9, pp. 1063 - 1081
Journal Article
ANTIMICROBIAL AGENTS AND CHEMOTHERAPY, ISSN 0066-4804, 03/2019, Volume 63, Issue 3
Eravacycline is a novel, fully synthetic fluorocycline that is approved for the treatment of complicated intra-abdominal infections (cIAI) in adult patients.... 
EFFICACY | ADME | eravacycline | SAFETY | drug interaction | ERTAPENEM | MICROBIOLOGY | PHARMACOLOGY & PHARMACY
Journal Article
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