Drug docking

Molecular Docking

INQUIRY

The interactions between proteins and other molecules play

important roles in various biological processes, including gene

transcription and expression, metabolic regulation, signal

transduction, and cell communication. Knowing structural aspects

of a protein complexed with its binding partner can help understand

the mechanism of such interaction and thus is important for drug

discovery and development. However, it remains difficult and

expensive to obtain complex structures by experimental methods,

such as X-ray crystallography or NMR. Thus, computational

docking is considered an important approach to predicting the

three-dimensional structures of these interacting partners.

Molecular Docking

Profacgen employs computational docking techniques for a variety

of purposes. Single docking experiments are useful for exploring

protein functions, studying enzyme inhibitors and substrates, and

elucidating biochemical pathways. Virtual screening of large

databases of available chemicals can be applied for lead detection

and optimization. The docking procedure also works seamlessly

with upstream and downstream computational modeling protocols,

which offers unparalleled opportunities for structure-based drug

discovery.

Please see below the types of computational docking protocols we

can perform for you:

Protein-Ligand Docking

Protein-Protein Docking

Protein-Nucleic Acid Docking

Antibody-Antigen Docking

Protein-Peptide Docking

Protein–Carbohydrate Docking

Protein–Lipid Docking

Please feel free to contact us with your molecular docking projects.

Profacgen is here to offer you professional and thoughtful service.