Employee profile

PhD Sangita Kachhap

Employee since 6

assistant professor

Room: 234

Phone: +48 12 6395 158

E-mail: nckachap(at)cyf-kr.edu.pl

Research topics:

1) Understanding the reaction mechanism of bacterial enzyme

Aim of this project is to explore the substrate to product conversion reaction mechanism of a drug target enzyme from Mycobacterial tuberculosis. In future, this study will be helpful for the development of more effective drug against TB.

2) Reaction mechanism of Non-heme dioxygenase: non-heme 2-oxoglutarate/Fe(II)-dependent

dioxygenase thebaine 6-O-demethylase (T6ODM), involve in morphine biosynthesis,

catalyzes demethylation of substrates thebaine and oripavine.

Methodology:

For my project using following computational techniques

1) Classical all atom MD simulation (AMBER)

2) Docking (Autodock)

3) DFT calculation (Gaussian)

4) QM/MM