Docking Sites of Indole Derivative on Mitogen-Activated Protein Kinase (MAPK) Inhibitor (PDB ID- 1A9U) against Inflammation

Abstract

Background: The serine/threonine kinase p38 Mitogen-Activated Protein (MAP) kinase is one of the most well studied kinases in the inflammatory process. The goal of this study was to see how a p38 MAP Kinase inhibitor (PDB ID- 1A9U) affected the activity of a p38 MAP kinase implicated in inflammation. "Inflammation is a common feature of age-related neurodegenerative diseases in the Central Nervous System (CNS)." The p38 Mitogen-Activated Protein Kinase (MAPK) pathway regulates the synthesis of IL-1 and TNF.Materials and Methods: The study focused on molecular docking and ADME of the relationships that exist between [4-amino-3-(1H-indol-1-yl) phenyl] (4-hydroxyphenyl) methanone derivatives and p38 Mitogen-Activated Protein (MAP) kinase. Inhibition of p38 Mitogen-Activated Protein (MAP) kinase pathway, a series of [4-amino3-(1H-indol-1-yl) phenyl] (4-hydroxyphenyl) methanone derivations were developed and evaluated in silico. The designed composites' medicine-likeness packets were predicted.Results: According to molecular docking experiments, all composites had improved interactions with the target protein and may be powerful drugs. The developed [4-amino-3-(1H-indol-1-yl) phenyl] (4-hydroxyphenyl) methanone analogues may be more effective and safer anti-inflammatory medicines.Conclusion: According to the findings of this investigation, p38 MAPK inhibitors alone are a unique therapeutic target for inflammatory disorders. p38 Mitogen-Activated Protein (MAP) Kinase is a critical serine/threonine kinase that has been well studied in the inflammatory process.

Keywords: P38 MAPK; Inflammation; ADMET; Indole; Molecular docking; IL-1; TNF