Molecular docking and ADMET investigation of a novel series of Pyridinylimidazole derivatives as potential p38α MAP kinase inhibitors
A El Aissouq - RHAZES: Green and Applied Chemistry, 2022 - revues.imist.ma
The p38α MAP kinase is a potential therapeutic target for neurodegenerative disorders like
Alzheimer's disease. In this study, a dataset of Pyridinylimidazole derivatives was tested …
Alzheimer's disease. In this study, a dataset of Pyridinylimidazole derivatives was tested …
[HTML][HTML] Insights from the molecular docking and simulation analysis of P38 MAPK phytochemical inhibitor complexes
CMMP Rao, K Silakabattini, N Narapusetty… - …, 2023 - ncbi.nlm.nih.gov
It is of interest to develop p38α MAPK inhibitors. Docking, ADMET properties calculation,
molecular dynamics, and MM-PBSA approaches were used to investigate the therapeutic …
molecular dynamics, and MM-PBSA approaches were used to investigate the therapeutic …
3D-QSAR of p38-α mitogen-activated protein kinase inhibitors: pyridopyridazin-6-ones (part 1)
SG Bhansali, VM Kulkarni - Research and Reports in Medicinal …, 2013 - Taylor & Francis
p38-α mitogen-activated protein kinase (MAPK) is considered to be a novel target for the
development of new anti-inflammatory agents. Inhibitors of this enzyme can provide new …
development of new anti-inflammatory agents. Inhibitors of this enzyme can provide new …
Pharmacophore generation, atom-based 3D-QSAR, docking, and virtual screening studies of p38-α mitogen activated protein kinase inhibitors: pyridopyridazin-6 …
SG Bhansali, VM Kulkarni - Research and Reports in Medicinal …, 2013 - Taylor & Francis
p38-α mitogen-activated protein kinase (MAPK) is a serine/threonine kinase activated by
environmental stimuli, like stress, and by various proinflammatory cytokines, such as tumor …
environmental stimuli, like stress, and by various proinflammatory cytokines, such as tumor …
QSAR study of phenoxypyrimidine derivatives as potent inhibitors of p38 kinase using different chemometric tools
N Edraki, B Hemmateenejad, R Miri… - Chemical biology & …, 2007 - Wiley Online Library
Selective inhibition of the CSBP/p38 mitogen‐activated protein kinase pathway may be an
attractive target for the development of therapeutic agents to treat chronic inflammatory …
attractive target for the development of therapeutic agents to treat chronic inflammatory …
In silico identification of novel IL-1β inhibitors to target protein–protein interfaces
Interleukin-1β is a drug target in rheumatoid arthritis and several auto-immune disorders. In
this study, a set of 48 compounds with the determined IC 50 values were used for QSAR …
this study, a set of 48 compounds with the determined IC 50 values were used for QSAR …
Insights into the identification of p38-alpha mitogen activated protein kinase against pyridazinopyridinone derivatives in the treatment of rheumatoid arthritis
R Mahendran, S Jeyabasker, A Francis… - Research Journal of …, 2017 - indianjournals.com
Rheumatoid arthritis (RA) is a long-term disease that leads to inflammation of the joints and
surrounding tissues. It also affects other organs and considered as an autoimmune disease …
surrounding tissues. It also affects other organs and considered as an autoimmune disease …
CoMFA and docking studies on triazolopyridine oxazole derivatives as p38 MAP kinase inhibitors
MRS Nayana, YN Sekhar, NS Kumari… - European Journal of …, 2008 - Elsevier
With the objective to design new chemical entities with enhanced inhibitory potencies
against p38 MAP alpha kinase, the 3D-QSAR and Comparative Molecular Field Analysis …
against p38 MAP alpha kinase, the 3D-QSAR and Comparative Molecular Field Analysis …
[HTML][HTML] Comparative amino acid decomposition analysis of potent type I p38α inhibitors
Background and purpose of the study p38α is a member of mitogen-activated protein
kinases (MAPK) considered as a prominent target in development of anti-inflammatory …
kinases (MAPK) considered as a prominent target in development of anti-inflammatory …