Dr Usha, Assistant Professor, Department of Bioinformatics,
Bharathiar University, Coimbatore, Tamil Nadu, India
Title of presentation: Combined in silico and in vitro analysis on the carcinogenic effects of persistent organic pollutants (POPs)
As their name suggests, Persistent organic pollutants (POPs) are persistent in the environment because of their resistance to degradation. Initially, twelve POPs have been recognized as causing adverse effects on humans and new POPs have regularly been listed into its annexes. Protein kinases serve as potential targets of persistent organic pollutants. Several protein kinases are found to involve in early signaling events and downstream signal transduction. The present study aims to predict the compound-kinase interaction by molecular docking and dynamics methods against the entire kinome. The kinase inhibitory potential of the selected compounds (Top interaction compounds) would be evaluated by cell culture method. If this work is fruitful, it is expected to provide novel natural drug lead-molecules and its inhibitory mechanism of action (MOA) on wide array of kinases (target the entire kinome family of over 500 annotated human kinases) based on their in silico and in vitro molecular interactions which in turn can be translated for the prevention of carcinogenic effects in humans.
Keywords: Persistent organic pollutants, Kinase inhibitors, Carcinogenic effects, Virtual screening, Insilico, In vitro
Biography: Graduated in Biochemistry and Masters in Bioinformatics, Dr. S. Usha had acquired her Masters M. Phil. and Ph. D. in Bioinformatics from Bharathidasan University, Tiruchirappalli. She had received the University Research Fellowship from the University for carrying out her Ph. D. work on “Protein-Ligand Interactions and Structure-based Inhibitor Discovery”. She then joined as UGC – Dr. D. S. Kothari Post-Doctoral Fellow on “Mechanistic and Structural Studies on Epidermal Growth Factor Receptor (EGFR) kinase enzyme through Molecular Modeling Approaches” in the Department of Bioinformatics, Alagappa University, Karaikudi. At present, she is working as Assistant Professor in Bioinformatics, Bharathiar University, Coimbatore.