Articles with "computational structural" as a keyword



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Computational Structural Biology of S-nitrosylation of Cancer Targets

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Published in 2018 at "Frontiers in Oncology"

DOI: 10.3389/fonc.2018.00272

Abstract: Nitric oxide (NO) plays an essential role in redox signaling in normal and pathological cellular conditions. In particular, it is well known to react in vivo with cysteines by the so-called S-nitrosylation reaction. S-nitrosylation is… read more here.

Keywords: computational structural; structural biology; nitrosylation; biology ... See more keywords
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Pharmacological Chaperones and Protein Conformational Diseases: Approaches of Computational Structural Biology

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Published in 2023 at "International Journal of Molecular Sciences"

DOI: 10.3390/ijms24065819

Abstract: Whenever a protein fails to fold into its native structure, a profound detrimental effect is likely to occur, and a disease is often developed. Protein conformational disorders arise when proteins adopt abnormal conformations due to… read more here.

Keywords: conformational diseases; structural biology; pharmacological chaperones; computational structural ... See more keywords
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Experimental and Computational Structural Studies of 2,3,5-Trisubstituted and 1,2,3,5-Tetrasubstituted Indoles as Non-Competitive Antagonists of GluK1/GluK2 Receptors

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Published in 2022 at "Molecules"

DOI: 10.3390/molecules27082479

Abstract: The blockade of kainate receptors, in particular with non-competitive antagonists, has—due to their anticonvulsant and neuroprotective properties—therapeutic potential in many central nervous system (CNS) diseases. Deciphering the structural properties of kainate receptor ligands is crucial… read more here.

Keywords: structural studies; experimental computational; computational structural; competitive antagonists ... See more keywords