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Published in 2020 at "Fluid Phase Equilibria"
DOI: 10.1016/j.fluid.2020.112805
Abstract: Abstract In recent years, fullerenes and their amphiphilic derivatives fullerols [C60(OH)n] have received considerable attention of researchers worldwide because of their unique structural and electronic properties that enables numerous industrial and medicinal applications. Because of…
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Keywords:
thermodynamic properties;
hydroxyl;
hydroxyl groups;
fullerols c60 ... See more keywords
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Published in 2021 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2021.131148
Abstract: Abstract Protein Kinase C ζ (PKCζ) has emerged as a promising novel drug target for the treatment of arthritis. A series of isoquinoline PKCζ inhibitors were analyzed through CoMFA, CoMSIA, homology modeling, and molecular docking…
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Keywords:
structural requirements;
homology modeling;
insights structural;
pkc inhibitors ... See more keywords
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Published in 2023 at "ACS Omega"
DOI: 10.1021/acsomega.2c08115
Abstract: Ethylene propylene diene monomer (EPDM) is one of the most used polymers in the world. It is an elastomer, which means that the existing cross-linking between the main chains of the polymer created during the…
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Keywords:
devulcanization;
dielectric behavior;
sbr;
insights structural ... See more keywords
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Published in 2020 at "ACS Sustainable Chemistry & Engineering"
DOI: 10.1021/acssuschemeng.0c01361
Abstract: Biomass pretreatment enabling extraction of lignin with desirable properties (especially well-preserved β-O-4 linkages) while ensuring improved cellulose digestibility remains a challenge for susta...
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Keywords:
structural changes;
toward tailored;
lignin toward;
changes lignin ... See more keywords
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Published in 2018 at "Scientific Reports"
DOI: 10.1038/s41598-018-27867-3
Abstract: In this work, we study the dynamics and the energetics of the all-atom structure of a neuronal-specific serine/threonine kinase c-Jun N-terminal kinase 3 (JNK3) in three states: unphosphorylated, phosphorylated, and ATP-bound phosphorylated. A series of…
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Keywords:
dynamics kinase;
structural dynamics;
jnk3;
new insights ... See more keywords
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Published in 2019 at "Critical Reviews in Biotechnology"
DOI: 10.1080/07388551.2019.1576024
Abstract: Abstract Glucosinolate–myrosinase is a substrate-enzyme defense mechanism present in Brassica crops. This binary system provides the plant with an efficient system against herbivores and pathogens. For humans, it is well known for its anti-carcinogenic, anti-inflammatory,…
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Keywords:
system;
glycosyl bond;
glucosinolate myrosinase;
myrosinase ... See more keywords
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Published in 2019 at "Journal of Biomolecular Structure and Dynamics"
DOI: 10.1080/07391102.2018.1441072
Abstract: Histone deacetylases (HDACs) are a family of proteins whose main function is the removal of acetyl groups from lysine residues located on histone and non-histone substrates, which regulates gene transcription and other activities in cells.…
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Keywords:
inhibition;
features hdac1;
structural features;
site ... See more keywords
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Published in 2021 at "Catalysts"
DOI: 10.3390/catal11050617
Abstract: Despite their high atomic dispersion, single site catalysts with Pt supported on CeO2 were found to have a low activity during oxidation reactions. In this study, we report the behavior of Pt/CeO2 single site catalyst…
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Keywords:
site;
oxidation;
ceo2 single;
insights structural ... See more keywords
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Published in 2021 at "Molecules"
DOI: 10.3390/molecules27010104
Abstract: Valproic acid (VPA) is a well-established anticonvulsant drug discovered serendipitously and marketed for the treatment of epilepsy, migraine, bipolar disorder and neuropathic pain. Apart from this, VPA has potential therapeutic applications in other central nervous…
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Keywords:
pharmacological profile;
modifications valproic;
insights structural;
structural modifications ... See more keywords
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Published in 2022 at "Pharmaceuticals"
DOI: 10.3390/ph15121579
Abstract: Searching for bioactive compounds within the huge chemical space is like trying to find a needle in a haystack. Isatin is a unique natural compound which is endowed with different bio-pertinent activities, especially in cancer…
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Keywords:
requirements isatin;
myeloid leukemia;
acute myeloid;
insights structural ... See more keywords