Identification of good and bad fragments of tricyclic triazinone analogues as potential PKC-θ inhibitors through SMILES–based QSAR and molecular docking-Reference-Cited by-同舟云学术

Identification of good and bad fragments of tricyclic triazinone analogues as potential PKC-θ inhibitors through SMILES–based QSAR and molecular docking

Published:2020-09-01 Issue:1 Volume:32 Page:149-165
ISSN:1040-0400
Container-title:Structural Chemistry
language:en
Short-container-title:Struct Chem

Author:

Kumar Ashwani,Kumar Parvin^ORCID

Publisher

Springer Science and Business Media LLC

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics

Link

https://link.springer.com/content/pdf/10.1007/s11224-020-01629-2.pdf

Reference79 articles.

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2. Han C, Lei D, Liu L, Xie S, He L, Wen S, Zhou H, Ma T, Li S (2020) Morphine induces the differentiation of T helper cells to Th2 effector cells via the PKC-theta-GATA3 pathway. Int Immunopharmacol 80:106133. https://doi.org/10.1016/j.intimp.2019.106133

3. von Essen MR, Kongsbak M, Levring TB, Hansen AK, Boding L, Lauritsen JP, Woetmann A, Baier G, Odum N, Bonefeld CM, Geisler C (2013) PKC-theta exists in an oxidized inactive form in naive human T cells. Eur J Immunol 43(6):1659–1666. https://doi.org/10.1002/eji.201243140

4. Wachowicz K, Baier G (2014) Protein kinase Ctheta: the pleiotropic T-cell signalling intermediate. Biochem Soc Trans 42(6):1512–1518. https://doi.org/10.1042/BST20140179

5. Cole DC, Asselin M, Brennan A, Czerwinski R, Ellingboe JW, Fitz L, Greco R, Huang X, Joseph-McCarthy D, Kelly MF, Kirisits M, Lee J, Li Y, Morgan P, Stock JR, Tsao DH, Wissner A, Yang X, Chaudhary D (2008) Identification, characterization and initial hit-to-lead optimization of a series of 4-arylamino-3-pyridinecarbonitrile as protein kinase C theta (PKCtheta) inhibitors. J Med Chem 51(19):5958–5963. https://doi.org/10.1021/jm800214a

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