Molecular docking of C-Jun-N-Terminal Kinase (Jnk) with amino-pyrimidine derivatives

被引：1

作者：

Meenakumari, Krishnamoorthy ^{[1
]}

Bupesh, Giridharan ^{[1
]}

机构：

[1] Sree Balaji Med Coll & Hosp SBMCH, Cent Res Lab, BIHER, Res & Dev Wing, Chennai 600044, Tamil Nadu, India

来源：

BIOINFORMATION | 2020年 / 16卷 / 06期

关键词：

JNK3; inhibitors; amino-pyrimidine; SIGNAL-TRANSDUCTION; PATHWAYS; STRESS;

D O I：

10.6026/97320630016462

中图分类号：

Q [生物科学];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

It is of interest to document the molecular docking of C-Jun-N-Terminal Kinase (Jnk) (known structure with PDB ID: 1PMN) with amino-pyrimidine derivatives in the context of Alzheimer's Disease (AD). We report the optimal binding features (binding energy, interacting residues, inter atomic hydrogen bonding patterns) of 11 amino-pyrimidine derivatives with Jnk for further consideration.

引用

页码：462 / 467

页数：6

共 20 条

[1] JNK Inhibition Protects Dopamine Neurons and Provides Behavioral Improvement in a Rat 6-Hydroxydopamine Model of Parkinson's Disease [J].

Crocker, Candice E. ;

Khan, Susan ;

Cameron, Michael D. ;

Robertson, Harold A. ;

Robertson, George S. ;

LoGrasso, Philip .

ACS CHEMICAL NEUROSCIENCE, 2011, 2 (04) :207-212

[2] Signal transduction by the JNK group of MAP kinases [J].

Davis, RJ .

CELL, 2000, 103 (02) :239-252

[3] The Cellular Phase of Alzheimer's Disease [J].

De Strooper, Bart ;

Karran, Eric .

CELL, 2016, 164 (04) :603-615

[4] JNK1 - A PROTEIN-KINASE STIMULATED BY UV-LIGHT AND HA-RAS THAT BINDS AND PHOSPHORYLATES THE C-JUN ACTIVATION DOMAIN [J].

DERIJARD, B ;

HIBI, M ;

WU, IH ;

BARRETT, T ;

SU, B ;

DENG, TL ;

KARIN, M ;

DAVIS, RJ .

CELL, 1994, 76 (06) :1025-1037

[5] Selective interaction of JNK protein kinase isoforms with transcription factors [J].

Gupta, S ;

Barrett, T ;

Whitmarsh, AJ ;

Cavanagh, J ;

Sluss, HK ;

Derijard, B ;

Davis, RJ .

EMBO JOURNAL, 1996, 15 (11) :2760-2770

[6] Prediction models for dementia and neuropathology in the oldest old: the Vantaa 85+cohort study [J].

Hall, Anette ;

Pekkala, Timo ;

Polvikoski, Tuomo ;

van Gils, Mark ;

Kivipelto, Miia ;

Lotjonen, Jyrki ;

Mattila, Jussi ;

Kero, Mia ;

Myllykangas, Liisa ;

Makela, Mira ;

Oinas, Minna ;

Paetau, Anders ;

Soininen, Hilkka ;

Tanskanen, Maarit ;

Solomon, Alina .

ALZHEIMERS RESEARCH & THERAPY, 2019, 11 (1)

[7] The biochemistry of apoptosis [J].

Hengartner, MO .

NATURE, 2000, 407 (6805) :770-776

[8] JNK2 CONTAINS A SPECIFICITY-DETERMINING REGION RESPONSIBLE FOR EFFICIENT C-JUN BINDING AND PHOSPHORYLATION [J].

KALLUNKI, T ;

SU, B ;

TSIGELNY, I ;

SLUSS, HK ;

DERIJARD, B ;

MOORE, G ;

DAVIS, R ;

KARIN, M .

GENES & DEVELOPMENT, 1994, 8 (24) :2996-3007

[9] Pathological roles of MAPK signaling pathways in human diseases [J].

Kim, Eun Kyung ;

Choi, Eui-Ju .

BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR BASIS OF DISEASE, 2010, 1802 (04) :396-405

[10] Inhibitors of c-Jun N-Terminal Kinases: An Update [J].

Koch, Pierre ;

Gehringer, Matthias ;

Laufer, Stefan A. .

JOURNAL OF MEDICINAL CHEMISTRY, 2015, 58 (01) :72-95

← 1 2 →