Synthesis and molecular docking study of new benzofuran and furo[3,2-g]chromone-based cytotoxic agents against breast cancer and p38α MAP kinase inhibitors.
Sign Up to like & getrecommendations! Published in 2018 at "Bioorganic chemistry"
DOI: 10.1016/j.bioorg.2017.12.029
Abstract: This study deals with synthesis of a new set of benzofuran and 5H-furo[3,2-g]chromone linked various heterocyclic functionalities using concise synthetic approaches aiming to gain new antiproliferative candidates against MCF-7 breast cancer cells of p38α MAP… read more here.
Keywords: benzofuran furo; p38 map; breast cancer; cancer ... See more keywords
Ral Signals through a MAP4 Kinase-p38 MAP Kinase Cascade in C. elegans Cell Fate Patterning.
Sign Up to like & getrecommendations! Published in 2018 at "Cell reports"
DOI: 10.1016/j.celrep.2018.08.011
Abstract: C. elegans vulval precursor cell (VPC) fates are patterned by an epidermal growth factor (EGF) gradient. High-dose EGF induces 1° VPC fate, and lower dose EGF contributes to 2° fate in support of LIN-12/Notch. We previously showed… read more here.
Keywords: map4 kinase; kinase; p38 map; ral signals ... See more keywords
A New Pathway for the Preparation of Pyrano[2,3-c]pyrazoles and molecular Docking as Inhibitors of p38 MAP Kinase
Sign Up to like & getrecommendations! Published in 2022 at "ACS Omega"
DOI: 10.1021/acsomega.2c01814
Abstract: We report a new pathway to synthesize pyrano[2,3-c]pyrazoles and their binding mode to p38 MAP kinase. Pyrano[2,3-c]pyrazole derivatives have been prepared through a four-component reaction of benzyl alcohols, ethyl acetoacetate, phenylhydrazine, and malononitrile in the… read more here.
Keywords: pyrano pyrazoles; new pathway; pocket; p38 map ... See more keywords
Unbinding Kinetics of a p38 MAP Kinase Type II Inhibitor from Metadynamics Simulations.
Sign Up to like & getrecommendations! Published in 2017 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.6b12950
Abstract: Understanding the structural and energetic requisites of ligand binding toward its molecular target is of paramount relevance in drug design. In recent years, atomistic free energy calculations have proven to be a valid tool to… read more here.
Keywords: unbinding kinetics; inhibitor; p38 map; map kinase ... See more keywords
Modelling flexible protein-ligand binding in p38α MAP kinase using the QUBE force field.
Sign Up to like & getrecommendations! Published in 2019 at "Chemical communications"
DOI: 10.1039/c9cc08574b
Abstract: The quantum mechanical bespoke (QUBE) force field is used to retrospectively calculate the relative binding free energies of a series of 17 flexible inhibitors of p38α MAP kinase. The size and flexibility of the chosen… read more here.
Keywords: force field; qube force; p38 map; force ... See more keywords
Abstract 4669: Overcoming therapy resistance in stem cell-rich triple negative breast cancer through p38 MAP kinase inhibition
Sign Up to like & getrecommendations! Published in 2019 at "Tumor Biology"
DOI: 10.1158/1538-7445.am2019-4669
Abstract: Background: Patients with triple-negative breast cancers (TNBCs) develop chemotherapeutic resistance and have a high mortality rate. Classification of TNBCs based on molecular profiling has enabled the identification of one subtype that is particularly enriched for… read more here.
Keywords: cancer; resistance; map kinase; p38 map ... See more keywords