Future
Medicinal
Chemistry
Research Article
1193 Future Med. Chem. (2017) 9(11), 1193–1211 ISSN 1756-8919
part of
10.4155/fmc-2017-0037 © 2017 Future Science Ltd
Aim: Autoimmune disorders have complex pathophysiology and focus is laid on
the development of multitargeted agents. Two well-established kinases: SYK and
JAK3, were considered to design dual inhibitors as potential therapeutics using
various molecular-modeling approaches. Methodology: Pharmacophore models for
SYK and JAK3 were generated using oxindole-based inhibitors. Furthermore, an in-
house database was designed that was screened against the best selected models.
The obtained hits were employed for docking analysis and subjected to MM-GBSA
analysis and molecular dynamic simulation. Results: Top five oxindole derivatives
were synthesized and evaluated for in vitro SYK and JAK3 activity. The most active
compound 4a was evaluated for in vivo antiarthritic activity. It showed significant
anti-arthritic activity. Conclusion: Thus, the designed inhibitors resulted in potential
therapeutic agents for rheumatoid arthritis.
First draft submitted: 15 February 2017; Accepted for publication: 21 April 2017; Published
online: 19 July 2017
Keywords: autoimmunedisorders•B-cellsignaling•JAK3•moleculardynamics•oxindole
•SYK
The autoimmune disorders have been char-
acterized as complex disorders with many
signaling pathways involving numerous sig-
naling cytokines. These cytokines play a piv-
otal role in the pathogenesis of autoimmune
and inflammatory disorders [1] . The key step
in immune signaling pathways is phosphory-
lation of receptor subunits via activation of
kinases presenting their vital role in immune
cell signaling. The appropriate intracellular
signaling pathways must be activated via
cytokine receptors on cell surface and tyro-
sine kinase transduces the first ‘outside to
in’ signals to be phosphorylated following
receptor binding to its ligand [2–5] . Among
various kinases, members of JAK family and
SYK family are essential for signaling path-
ways of various cytokines and are implicated
in autoimmune and inflammatory diseases
like rheumatoid arthritis, psoriasis, etc.
Thus, kinases of these families are potential
therapeutic targets for the treatment of these
disorders.
Due to complexity of autoimmune disor-
ders and involvement at different signaling
pathways in its progression the modulation
of single pathway might not be sufficient to
produce desired efficacy. The multifacto-
rial nature of this complex pathophysiology
demands the designing of multitargeted
agents acting on more than one signaling
pathways simultaneously rather than only
one pathway. Several kinase inhibitors have
been approved by the US FDA as multitar-
get agents for the treatment of cancer [6–8] .
The use of multikinase inhibitors has now
expanded beyond malignancies to autoim-
mune disorders. In recent years, several
Oxindole-based SYK and JAK3 dual
inhibitors for rheumatoid arthritis:
designing, synthesis and biological
evaluation
Maninder Kaur
1
, Manjinder
Singh
1
& Om Silakari*
,1
1
MolecularModelingLab(MML),
DepartmentofPharmaceuticalSciences
&DrugResearch,PunjabiUniversity,
Patiala,Punjab147002,India
*Authorforcorrespondence:
Tel.:+919501542696
omsilakari@gmail.com
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