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2
Published in 2022 at "Advanced Science"
DOI: 10.1002/advs.202205173
Abstract: The RIIβ subunit of cAMP‐dependent protein kinase A (PKA) is expressed in the brain and adipose tissue. RIIβ‐knockout mice show leanness and increased UCP1 in brown adipose tissue. The authors have previously reported that RIIβ…
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Keywords:
dmh gabaergic;
wat browning;
gabaergic neurons;
pka ... See more keywords
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0
Published in 2023 at "Archiv der Pharmazie"
DOI: 10.1002/ardp.202200470
Abstract: Licorice flavonoids (LCFs) have been widely used in food care and medical treatment due to their significant antioxidant activities. However, the molecular mechanism of their antioxidant activity remains unclear. Therefore, network pharmacology, ADMET, density functional…
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Keywords:
antioxidant activity;
pharmacology;
pka;
activity ... See more keywords
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0
Published in 2022 at "Cell Biology International"
DOI: 10.1002/cbin.11959
Abstract: Amyloid‐β (Aβ) is thought to be a critical pathologic factor of retinal pigment epithelium (RPE) degeneration in age‐related macular degeneration (AMD). Aβ induces inflammatory responses in RPE cells and recent studies demonstrate the N6‐methyladenosine (m6A)…
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Keywords:
degeneration;
pka;
rpe degeneration;
retinal pigment ... See more keywords
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Published in 2019 at "ELECTROPHORESIS"
DOI: 10.1002/elps.201900381
Abstract: Fourteen low molecular mass UV absorbing ampholytes containing 1 or 2 weakly acidic and 1 or 2 weakly basic functional groups that best satisfy Rilbe's requirement for being good carrier ampholytes (ΔpKa = pKamonoanion ‒…
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Keywords:
values limiting;
pka values;
limiting ionic;
pka ... See more keywords
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2
Published in 2023 at "IUBMB Life"
DOI: 10.1002/iub.2714
Abstract: Although Fischer's extraordinary career came to focus mostly on the protein phosphatases, after his co‐discovery of Phosphorylase Kinase with Ed Krebs he was clearly intrigued not only by cAMP‐dependent protein kinase (PKA), but also by…
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Keywords:
protein kinase;
pka;
pki;
inhibitor ... See more keywords
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1
Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26864
Abstract: In this contribution we extent the use of the conductor‐like screening model for realistic solvation (COSMO‐RS) to the prediction of pKa values in acetone, a commonly used dipolar aprotic solvent. For this, we calculated the…
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Keywords:
prediction acid;
cosmo prediction;
pka;
pka values ... See more keywords
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1
Published in 2022 at "Phytotherapy Research"
DOI: 10.1002/ptr.7658
Abstract: Chronic traumatic stress results in various psychiatric disorders, especially posttraumatic stress disorder (PTSD). Previous study demonstrated that curculigoside (CUR) a component of Rhizoma Curculiginis prevented fear extinction and stress‐induced depression‐like behaviors. However, its effects on…
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Keywords:
pka signaling;
signaling pathway;
cur;
pka ... See more keywords
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Published in 2020 at "Current microbiology"
DOI: 10.1007/s00284-020-02238-2
Abstract: Phosphate solubilising fungi (PSF) play an important role in increasing phosphorus (P) bioavailability and the fertility of soil. However, the mechanism by which PSF solubilise insoluble P using carboxylic acid is not fully understood. In…
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Keywords:
solubilisation;
carboxylic acid;
pka;
oxalicum psf ... See more keywords
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1
Published in 2019 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-019-4244-8
Abstract: The α-H acidity is an important chemical property of ketones that has attracted much research interest. Theoretical prediction of pKa for ketone α-H is significant. In this work, we theoretically studied the nuclear shielding of…
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Keywords:
calculated nuclear;
pka values;
enol forms;
correlation ... See more keywords
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1
Published in 2018 at "Journal of Computer-Aided Molecular Design"
DOI: 10.1007/s10822-018-0150-x
Abstract: In this work, quantum mechanical methods were used to predict the microscopic and macroscopic pKa values for a set of 24 molecules as a part of the SAMPL6 blind challenge. The SMD solvation model was…
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Keywords:
pka units;
blind challenge;
sampl6 blind;
pka ... See more keywords
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1
Published in 2018 at "Journal of Computer-Aided Molecular Design"
DOI: 10.1007/s10822-018-0168-0
Abstract: Determining the net charge and protonation states populated by a small molecule in an environment of interest or the cost of altering those protonation states upon transfer to another environment is a prerequisite for predicting…
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Keywords:
challenge;
pka prediction;
pka;
protonation states ... See more keywords