Computational targeting of allosteric site of MEK1 by quinoline‐based molecules

MEK1 is an attractive target due to its role in selective extracellular‐signal‐regulated kinase phosphorylation, which plays a pivotal role in regulating cell proliferation. Another benefit of targeting the MEK protein is its unique hydrophobic pocket that can accommodate highly selective allosteric...

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Bibliographic Details
Published in:	Cell biochemistry and function Vol. 40; no. 5; pp. 481 - 490
Main Authors:	Singh, Rahul, Bhardwaj, Vijay K., Purohit, Rituraj
Format:	Journal Article
Language:	English
Published:	England Wiley Subscription Services, Inc 01.07.2022
Subjects:	allosteric inhibitors Allosteric properties Biodegradability Biodegradation Breast Cell proliferation Clinical trials Colon Comparative analysis Computer applications Hydrophobicity Inhibitors Kinases Lung cancer MD simulations MEK protein MEK1 MM‐PBSA Molecular docking Molecular dynamics Organic compounds Phosphorylation Quinoline Quinolines Toxicity MD simulations MM-PBSA MEK1 allosteric inhibitors quinolines
ISSN:	0263-6484, 1099-0844, 1099-0844
Online Access:	Get full text
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