Insilico Design and Molecular Docking Studies of Novel 2-(4-chlorophenyl)-5-aryl-1,3,4-Oxadiazole Derivatives for Anti-cancer Activity

Here the inhibition of epidermal growth factor receptor tyrosine kinase was taken and the X-ray crystal structure of tyrosine kinase (PDB:2J5F) was downloaded from the protein data bank. Tiemann and Kruger first discovered oxadiazole ring in 1884, then named it as furo[ab]diazoles. Since it is obtai...

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Bibliographic Details
Published in:Journal of pharmaceutical sciences and research 2019-07, Vol.11 (7), p.2604-2609
Main Author: Vismaya, V
Format: Article
Language:English
Subjects:
Analgesics
Cancer
Chemical reactions
Chemistry
Crystal structure
Drugs
Epidermal growth factor
Hydrogen bonds
Kinases
Ligands
Medical research
Nitrogen
Pharmaceutical sciences
Polymerization
Proteins
R&D
Research & development
Software
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Summary:Here the inhibition of epidermal growth factor receptor tyrosine kinase was taken and the X-ray crystal structure of tyrosine kinase (PDB:2J5F) was downloaded from the protein data bank. Tiemann and Kruger first discovered oxadiazole ring in 1884, then named it as furo[ab]diazoles. Since it is obtained from furan by replacing of two methane (CH=) groups by two pyridine type nitrogen atoms (N=). The crystal structure of EGFR kinase domain in complex with an irreversible inhibitor 34-jab was retrieved from Protein Data Bank with PDB ID: 2J5F with a resolution of 3A0.The protein was preprocessed by removing the bounded ligands and the energy of the protein is minimized to form a stable structure for molecular docking. Epidermal growth factor receptor tyrosine kinase inhibitors in advanced non-small cell lung cancer.
ISSN:0975-1459