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International Journal of Pharmaceutical InvestigationNOW IN
Article

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

Rohit Jaysing Bhor1★, Adesh Chandrakant Agale1, Gaikwad Mayur Sitaram1, More Dhanraj Navnath1, Wayse Siddheshwar Sunil1★ Corresponding author

  1. 1Department of Pharmaceutical Chemistry, Pravara Rural College of Pharmacy Pravaranagar, Tal-Rahata, Ahmednagar, Maharashtra, INDIA.

CORRESPONDENCE

Rohit Jaysing Bhor

Department of Pharmaceutical Chemistry, Pravara Rural College of Pharmacy Pravaranagar, Tal-Rahata, Ahmednagar, Maharashtra, INDIA.

rohit.bhor69@gmail.com

Received: 18-08-2023; Revised: 24-09-2023; Accepted: 22-10-2023.

Volume 14, Issue 1 · pp. 172–179 · PUBLISHED · DOI: 10.5530/ijpi.14.1.22

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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.

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    Bhor, R. J., Agale, A. C., Sitaram, G. M., Navnath, M. D., & Sunil, W. S. (). Docking Sites of Indole Derivative on Mitogen-Activated Protein Kinase (MAPK) Inhibitor (PDB ID- 1A9U) against Inflammation. International Journal of Pharmaceutical Investigation, 14(1), 172–179. https://doi.org/10.5530/ijpi.14.1.22