Biophysical Chemistry and Biomolecules’ Functionality

At large, research in the multidisciplinary-grounded Günther Herbert Johannes Peters Group, or, Chemistry at the Interface to Biology Group, is focused on proteins. To understand and manipulate the complex behavior of proteins, we employ a wide array of advanced technologies, wet-lab experimental research, and computational simulation techniques. The insights we gain into protein structure-function relationships enable us to predict protein behavior and design novel molecules with enhanced therapeutic and industrial applications.

Research

Our current research activities include NMR and molecular dynamics simulation. Here, we study the structure, dynamics, and function of tryptophan hydroxylase 2’s (TPH2) N-terminus. TPH2 is essential in the production of serotonin in the human brain.

One of our ongoing activity areas is enzymes. When enzymes encounter gas bubbles, like those found in reactors, they can unfold and lose their function. We use advanced molecular dynamics simulations to study enzyme behavior at these interfaces. By comparing our simulation results with experimental data, we aim to design enzymes that maintain their structural integrity and functionality even in the presence of gas bubbles.

In addition, we have a project that targets the SARS-CoV-2 protease, Mpro, which is crucial for viral replication. Using in-vitro assays and molecular dynamics simulations, we aim to understand the structural and chemical requirements for compounds that broadly inhibit Mpro and prevent coronavirus replication.

Contact

Günther Herbert Johannes Peters

Günther Herbert Johannes Peters Professor Phone: +45 45252486

Research Areas

Membrane

Biological membranes are essential for the integrity of the cell, and transport of  molecules (e.g. steroids, drugs, etc.) through  membranes is an important process for  molecules to reach their target.

We are particularly interested in:

  • To study the interactions of neurotransmitters and organic osmolytes with membranes.
  • To understand role of organic osmolytes in the regulation of the osmotic pressure in cells.
Protein Structure Function

G-protein coupled receptors (GPCRs) constitute the largest superfamily of membrane proteins known to date.

GPCRs are potential drug targets. Among the GPCRs, we will primarily focus on receptors in the central nervous system, whos  structures are not available yet.

We are particularly interested in:

  • constructing model structures of these receptors using computational methods.
  • getting detailed insight into the conformational changes induced by agonist vs. antagonist.
  • guiding the design of potential drugs.
DTU Chemistry - Enzymatic reaction

Organic solvents are widely appreciated as reaction media for enzyme catalysis. The solvent has profound effects on several reaction parameters, such as enzymatic activity & kinetics, enzyme specificity, and stability & thermostability. This has important implications, since specificity can be a key property in biocatalysis.

We are particularly interested in:

  • To study organic solvent effects on enzyme function.
  • To investigate if solvent effects on protein properties can explain medium effects on experimentally determined activity  specificity.
DTU Chemistry - Drug delivery

The interactions between bile salts and cyclodextrins (CDs: macrocyclic oligosugars) are of importance for the release of CD-complexed drugs upon oral administration.

We are particularly interested in:

  • To understand  the key interactions that drive complexation and essential. This knowledge is essential for rational drug formulation.
  • To unravel the role of dehydration of the compounds during complexation for stability of the complex – i.e. to elucidate the role of the hydrophobic effect.
PIPPI _ DTU Chemistry

PIPPI

Protein-excipient Interactions and Protein-Protein Interactions in formulation.