Computational Techniques for GPCRs
G protein-coupled receptors (GPCRs) play an important role in a wide variety of physiological processes and are associated with a broad spectrum of diseases. They are considered as one of the most important therapeutic targets and has always been the focus of pharmaceutical research. Cutting-edge computational techniques are valuable resources for structural biology, molecular biology, pharmaceutical chemistry, pharmacology and drug design, and also a powerful way to reduce the costs of drug research & development.
Creative Biolabs has established a number of advanced computational technique platforms to facilitate GPCR research and drug development. Our professional scientific team has extensive successful experience in providing customized services to fully advance our customers' projects.
Homology modeling is a computational structure prediction technique based on the amino acid sequence of target proteins and the experimental three-dimensional structure of related homologous proteins. Homology modeling of GPCRs provides a useful approach for studying receptor-ligand interactions.
Molecular docking is a computational technique aimed at predicting the three-dimensional structure of complexes depending upon binding properties of ligand and target, and understanding drug-biomolecule interactions. It is one of the most popular approach for drug design and discovery.
Molecular Dynamics Simulation
Molecular dynamics (MD) simulation is a mature computational technique aimed at predicting the temporal evolution of an interacting particular system and understand the structure-function relationships of macromolecules. MD simulations is a useful tool to explore dynamic properties of GPCRs.
Virtual Screening (VS) is a set of computational methods used to identify chemical structures with particular properties, and identify potential hit candidates from large databases or collections of compounds. It is a valuable tool for GPCR drug discovery.
SAR and QSAR Models
Structure-activity relationship (SAR) and quantitative SAR (QSAR) models can be used to explore and build mathematical relationships between the chemical structure and biological activity of a molecule. They are powerful tools in drug discovery.
Sequence-Based Computational Methods
Sequence-based computational methods mainly use bioinformatics technology to study receptor sequences. Residues engaged in dimerization can be detected by sequence analysis. Sequence-based computational methods have been successfully used for prediction of GPCR dimerization.
Structure-Based Drug Design
Structure-based drug design (SBDD) is based on the assumption that drug molecules exert their biological activities through specific binding to target receptors. Computer algorithms provides a faster and more cost-efficient tool for lead discovery.
Computational pharmacology aims to determine links between genotypes and diseases. In order to develop accurate drugs, computational methods are used to analyze numerous drug data sets. Computational pharmacology may bridge the gaps between structure and function via dynamics.
Computational chemistry incorporates theoretical chemistry into computer modelling and simulation to study the structures and properties of molecules. It can be used to calculate and predict events to accelerate the long and costly drug discovery process.
We have established several advanced computational technique platforms to assist GPCR research and drug development.
We are dedicated to develop tailored computational solutions for GPCRs.
We have a professional scientific team with extensive experience in computational techniques for GPCRs to help you with any technical questions.
We provide our customers with customized one-stop solutions to help them advance cutting-edge projects.
We deliver high-quality results under strict quality control and reliable data with traceable records.
Fast turnaround time
Our advanced techniques and effective scheduling systems allow our services to have a fast turnaround time.
If you are interested in our techniques or have any specific needs, please feel free to contact us for more details.