Evaluation of the combination mode and features of p38 MAPK inhibitors: construction of different pharmacophore models and molecular docking
B Sun, H Zhang, Y Dong, L Zhao, J Han… - Molecular Simulation, 2019 - Taylor & Francis
Abnormal expression of tumour necrosis factor-α (TNF-α) can lead to various pathological
reactions, such as arthritis, psoriasis, krone disease, etc. p38 mitogen-activated protein …
reactions, such as arthritis, psoriasis, krone disease, etc. p38 mitogen-activated protein …
Ligand-based 3D pharmacophore design, virtual screening and molecular docking for novel p38 MAPK inhibitors
L He, R Dai, XR Zhang, SY Gao, YY He… - Medicinal Chemistry …, 2015 - Springer
The p38 mitogen-activated protein kinase (MAPK) identified in human monocytes represents
a potentially attractive therapeutic target for a class of cytokine suppressive anti …
a potentially attractive therapeutic target for a class of cytokine suppressive anti …
Virtual screening based on pharmacophore model followed by docking simulation studies in search of potential inhibitors for p38 map kinase
M Shahlaei, E Doosti - Biomedicine & Pharmacotherapy, 2016 - Elsevier
P38 mitogen-activated protein (MAP) kinase inhibitors are closely involved in the production
of inflammatory cytokines. These compounds are considered promising therapeutic agents …
of inflammatory cytokines. These compounds are considered promising therapeutic agents …
Dissection of the Recognition Properties of p38 MAP Kinase. Determination of the Binding Mode of a New Pyridinyl− Heterocycle Inhibitor Family
The main recognition characteristics of the ATP binding site of p38 mitogen activated protein
kinase alpha (p38α MAPK) have been explored by a combination of modeling and …
kinase alpha (p38α MAPK) have been explored by a combination of modeling and …
Computer-aided drug design applied to a series of pyridinyl imidazole derivatives targeting p38α MAP kinase: 2D-QSAR, docking, MD simulation, and ADMET …
A El Aissouq, A Lachhab, S El Rhabori… - New Journal of …, 2022 - pubs.rsc.org
The p38 mitogen-activated protein kinase (MAPK) is a crucial target for chronic
inflammation. Here, 2D-QSAR and molecular docking studies were performed on a new …
inflammation. Here, 2D-QSAR and molecular docking studies were performed on a new …
A comprehensive structural overview of p38α MAPK in complex with type I inhibitors
Abstract p38α mitogen‐activated protein kinase (MAPK) is a well‐recognized therapeutic
target for the treatment of autoimmune and inflammatory diseases. Over the past two …
target for the treatment of autoimmune and inflammatory diseases. Over the past two …
Identification of p38α MAP kinase inhibitors by pharmacophore based virtual screening
The p38α mitogen-activated protein (MAP) kinase plays a vital role in treating many
inflammatory diseases. In the present study, a combined ligand and structure based …
inflammatory diseases. In the present study, a combined ligand and structure based …
Modeling the binding affinity of p38α MAP kinase inhibitors by partial least squares regression
The p38 mitogen‐activated protein kinase is activated by environmental stress and
cytokines and plays a role in transcriptional regulation and inflammatory responses. Factors …
cytokines and plays a role in transcriptional regulation and inflammatory responses. Factors …
Structure-based virtual screening approach to the discovery of p38 MAP kinase inhibitors
H Choi, HJ Park, JC Shin, HS Ko, JK Lee, S Lee… - Bioorganic & medicinal …, 2012 - Elsevier
p38 Mitogen-activated protein kinase (MAPK) has been considered to be a promising target
for the development of therapeutics for various immunologic diseases. Herein we report an …
for the development of therapeutics for various immunologic diseases. Herein we report an …
Molecular modeling of p38α mitogen-activated protein kinase inhibitors through 3D-QSAR and molecular dynamics simulations
HW Chang, FS Chung, CN Yang - Journal of chemical information …, 2013 - ACS Publications
The p38 mitogen-activated protein kinase (MAPK) signaling pathway plays an essential role
in inflammation and other physiological processes. Because specific inhibitors of p38α and …
in inflammation and other physiological processes. Because specific inhibitors of p38α and …