Research Topic: Study of bacterial membrane proteins using molecular dynamics
Advisor: K Ganapathy Ayappa
Bacterial membranes form a formidable barrier for the permeation of substrate molecules. Hence, a variety of proteins acts as channels for the passage of nutrients and essential molecules as well as the export of waste and toxic molecules. The mechanisms of such channels range from simple water channels to complicated gated structures with high substrate selectivity. Since antibiotics hijack utilise these channels to permeate inside the bacteria, an understanding of the permeation mechanisms is essential for the design of new antibiotics, in view of the global threat of antibiotic resistance. Our research also targets the interactions of various peptides and fatty acids with bacterial membranes, considered to be prospective antibiotics of the future.
Image reference: Prajapati G. D., Kleinekathöfer U., and Winterhalter M. Chemical Reviews. 2021. 121 (9), 5158-5192.