Author(s):
Lohith T N, Lalit Kumar, Ruchi Verma
Email(s):
ruchi.verma@manipal.edu , ruchiverma_farma@yahoo.com
DOI:
10.5958/0974-360X.2020.00342.X 
Address:
Lohith T N1, Lalit Kumar2, Ruchi Verma1*
1Department of Pharmaceutical Chemistry, Manipal College of Pharmaceutical Sciences, Manipal Academy of Higher Education, Madhav Nagar-576104, Manipal, Udupi, Karnataka, India.
2Department of Pharmaceutics, Manipal College of Pharmaceutical Sciences, Manipal academy of Higher Education, Madhav Nagar-576104, Manipal, Udupi, Karnataka, India.
*Corresponding Author
Published In:
Volume - 13,
Issue - 4,
Year - 2020
ABSTRACT:
Schiff base derivatives have attracted great attention in medicinal and therapeutic importance. The present research article is an attempt to design novel acetylated schiff base derivatives through computational method as potent anti-inflammatory agents. Thirteen analogues were designed which were hybrid of acetyl group, heterocyclic group and Schiff base. The compounds showed acceptable ADME properties and drug likeness properties. Compound SR-12 showed the best dock score and SR-12 complex with protein was subjected to molecular dynamics studies. The complex was found to be stable throughout simulation time period. The present work gives an insight into the further modification of these molecules, synthesis and biological evaluation of these compounds for potent anti-inflammatory activity.
Cite this article:
Lohith T N, Lalit Kumar, Ruchi Verma. Design, Molecular Docking, ADME Analysis and Molecular Dynamics Studies of Novel Acetylated Schiff bases as COX-2 inhibitors. Research J. Pharm. and Tech. 2020; 13(4):1899-1904. doi: 10.5958/0974-360X.2020.00342.X
Cite(Electronic):
Lohith T N, Lalit Kumar, Ruchi Verma. Design, Molecular Docking, ADME Analysis and Molecular Dynamics Studies of Novel Acetylated Schiff bases as COX-2 inhibitors. Research J. Pharm. and Tech. 2020; 13(4):1899-1904. doi: 10.5958/0974-360X.2020.00342.X Available on: https://rjptonline.org/AbstractView.aspx?PID=2020-13-4-52
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