Insights into features and lead optimization of novel type 1½ inhibitors of p38α mitogen-activated protein kinase using QSAR, quantum mechanics, bioisostere replacement and ADMET studies

Insights into features and lead optimization of novel type 1½ inhibitors of p38α mitogen-activated protein kinase using QSAR, quantum mechanics, bioisostere replacement and ADMET studies

p38α mitogen-activated protein kinase (p38αMAPK) has been implicated in many diseases yet no inhibitor has been approved for therapeutic use. Various inhibitors have been developed with different binding modes, but none has been approved for use due to the non-specificity of these inhibitors. A nove...

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Bibliographic Details
Main Authors: Ireoluwa Yinka Joel, Temidayo Olamide Adigun, Olukayode Olusola Bankole, Mohammed Aminu Iduze, Tamonokorite AbelJack-Soala, Onyedika Gabriel ANI, Elijah Oluwafunto Olapade, Friday Micheal Dada, Olusola Mercy Adetiwa, Bankole Emmanuel Ofeniforo, Funmilola Olamide Akanni
Format: Article
Language:English
Published: Elsevier 2020-01-01
Series:Results in Chemistry
Subjects:
Type 1½ inhibitors
p38αMitogen-activated protein kinase
QSAR
HOMO-LUMO
E-pharmacophore
Molecular docking
Online Access:http://www.sciencedirect.com/science/article/pii/S2211715620300229

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http://www.sciencedirect.com/science/article/pii/S2211715620300229

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