Original ArticleInternational Journal of Pharmaceutical InvestigationVol. 14 | Issue 1 | 2023 | pp. 172–179Open access
Docking Sites of Indole Derivative on Mitogen-Activated Protein Kinase (MAPK) Inhibitor (PDB ID- 1A9U) against Inflammation
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- 1 Department of Pharmaceutical Chemistry, Pravara Rural College of Pharmacy Pravaranagar, Tal-Rahata, Ahmednagar, Maharashtra, INDIA.
Published in International Journal of Pharmaceutical Investigation
Correspondence: Rohit Jaysing Bhor
Department of Pharmaceutical Chemistry, Pravara Rural College of Pharmacy Pravaranagar, Tal-Rahata, Ahmednagar, Maharashtra, INDIA.
Email: rohit.bhor69@gmail.com
Copyright: © 2023 Manuscript Technomedia. This is an open access article.
- Published:
- Dec 15, 2023
- Received:
- Aug 18, 2023
- Accepted:
- Oct 22, 2023
- DOI:
- 10.5530/ijpi.14.1.22
How to cite
Bhor, R. J., Agale, A. C., Sitaram, G. M., Navnath, M. D., & Sunil, W. S. (2023). 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
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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Subject
Article metadata
| Title | Docking Sites of Indole Derivative on Mitogen-Activated Protein Kinase (MAPK) Inhibitor (PDB ID- 1A9U) against Inflammation |
|---|---|
| Authors | Rohit Jaysing Bhor; Adesh Chandrakant Agale; Gaikwad Mayur Sitaram; More Dhanraj Navnath; Wayse Siddheshwar Sunil |
| Affiliations | Department of Pharmaceutical Chemistry, Pravara Rural College of Pharmacy Pravaranagar, Tal-Rahata, Ahmednagar, Maharashtra, INDIA. |
| Corresponding author | rohit.bhor69@gmail.com |
| Journal | International Journal of Pharmaceutical Investigation |
| Volume / Issue | Vol. 14, Issue 1 (2023) |
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