Results 41 to 50 of about 191,349 (283)
Molecular pKa Prediction with Deep Learning and Chemical Fingerprints
Cumhuriyet Science JournalToday, drug discovery and design, the determination of molecular properties, in particular the determination of a molecule's pKa value, is essential for understanding and optimising the biological activity of drugs.
Fatih Mehmet Avcu
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Journal of Inflammation Research, 2021 Xinwei Cao,1 Yajun Li,1 Jianrong Shi,2 Huifang Tang1 1Department of Pharmacology, School of Basic Medical Sciences, Zhejiang University, Hangzhou, 310058, People’s Republic of China; 2Department of Clinical Laboratory, Children’s Hospital ...
Cao X, Li Y, Shi J, Tang H
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Journal of Taibah University for Science, 2022 Hybrid micellar liquid chromatography was used for practical determination of acid dissociation constant (pKa) of three analytes, namely, ibuprofen (IBU), naproxen (NPX) and benzoic acid (BZA).
M. E. K. Wahba, D. El Sherbiny
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Centrally formed acetaldehyde mediates ethanol-induced brain PKA activation [PDF]
, 2014 Centrally formed acetaldehyde has proven to be responsible for several psychopharmacological effects induced by ethanol. In addition, it has been suggested that the cAMP-PKA signaling transduction pathway plays an important role in the modulation of ...
González Aragón, Carlos Manuel +3 more
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Exploring the pKa, Molecular Binding, and Caspase-3 Activation Potential of Coumarin Derivatives [PDF]
Iranian Journal of Chemistry & Chemical EngineeringCaspase-3 is a central executioner protease in apoptosis, and its activation by small molecules is considered a promising anticancer strategy. Coumarin derivatives are known for their diverse biological activities, but the influence of structural ...
Semra Altunterim Erkan +3 more
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Theoretical investigation of cyclooxygenase inhibition property of several non-steroidal anti-inflammatory drugs by density functional theory calculations and molecular docking studies [PDF]
Trends in Pharmaceutical Sciences, 2015 Understanding the geometry, electronic properties of non-steroidal anti-inflammatory drugs (NSAIDs) and the nature of their interactions with human cyclooxygenase-2 (COX-2) is important in development and design of novel NSAIDs.
Atena Najdian +4 more
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Open Chemistry, 2019 The chemical structures and molecular reactivities of the Amatoxin group of fungi-derived peptides have been determined by means of the consideration of a model chemistry that has been previously validated as well-behaved for our purposes. The reactivity
Flores-Holguín Norma +2 more
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Potential and limitations of PKA/ PKG inhibitors for platelet studies
Platelets, 2022 Cyclic nucleotides (cAMP and cGMP) and corresponding protein kinases, protein kinase A (PKA) and protein kinase G (PKG), are the main intracellular mediators of endothelium-derived platelet inhibitors. Pharmacological PKA/PKG inhibitors are often used to
Valentina Shpakova +3 more
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WAVE2 Forms a Complex with PKA and Is Involved in PKA Enhancement of Membrane Protrusions [PDF]
Journal of Biological Chemistry, 2011 PKA contributes to many physiological processes, including glucose homeostasis and cell migration. The substrate specificity of PKA is low compared with other kinases; thus, complex formation with A-kinase-anchoring proteins is important for the localization of PKA in specific subcellular regions and the phosphorylation of specific substrates. Here, we
Hiroshi, Yamashita +2 more
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Cells, 2020 Best known as the powerhouse of the cell, mitochondria have many other important functions such as buffering intracellular calcium and reactive oxygen species levels, initiating apoptosis and supporting cell proliferation and survival.
Yujia Liu +2 more
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