CD ComputaBio now offers professional ARL-1 targeting services using computational approaches to meet your research needs.
The protein encoded by this gene belongs to the ARL (ADP-ribosylation factor-like) protein family, which is structurally related to ADP-ribosylation factors (ARFs). ARFs have been described as activators of cholera toxin (CT) ADP-ribosyltransferase activity, regulate intracellular vesicle membrane trafficking, and stimulate phospholipase D (PLD) isoforms. While it was initially thought that ARL proteins do not activate CT or PLD, subsequent work has shown that they are weak stimulators of PLD and CT with a phospholipid dependence. There is increasing evidence that dysregulation of ARL-1 family genes plays a critical role in tumorigenesis. ARL-1 hasbeen shown to be abnormally expressed in different cancer types, Modulation of malignant phenotypes of cancer cells and use as predictive biomarkers.
Our Services
- Replica Exchange Molecular Dynamics (REMD) Services
In replica exchange molecular dynamics simulations, a series of non-interacting replica systems are reconstructed, covering a wide temperature range from low to high temperature. A separate molecular dynamics simulation was performed for each replica. According to the Metropolis criteria, the configuration of each replica that is adjacent in temperature can be swapped. Therefore, REMD simulations can escape the low-temperature configuration space from local potential energy nadirs, and REMD simulations can sample over a larger configuration space than conventional kinetics. Our copy-exchange molecular dynamics simulations can be used to study protein aggregation, which is implicated in many human diseases, such as Alzheimer's disease (AD), Parkinson's disease (PD), and type 2 diabetes (T2D).
Figure 1. Diagram of replica exchange molecular dynamics. (Qi R, Wei G, Ma B, et al.2018)
- Protein-Protein Docking Service
CD ComputaBio provides you with ARL-1 inhibitor design service. In addition to small molecule inhibitor design service, we also provide professional peptide inhibitor design service, which involves protein-protein docking service. Computational methods can well complement experimental determination of complex structures when studying protein docking. Considering the flexibility of the model side chains, we created protein-protein complexes from protein monomers. We perform flexible docking or overall docking.
- De Novo Design
De novo drug design technology is a drug molecule design method based on the three-dimensional structure of receptors. The technology analyzes the active site of the target molecule and constructs a drug molecule that matches the active site. Our de novo design service steps mainly include:
- Step 1
Analyze the active site of the target to determine the distribution of active sites, potential fields, and key functional residues.
- Step 2
Use different strategies to place basic building blocks into active sites and generate complete new molecules.
- Step 3
Binding energies of new molecules and receptor molecules are calculated to predict biological activity.
Our Capabilities
CD ComputaBio provides corresponding ARL-1 targeting services. Our computational services provide accurate approximations of real molecular behavior and have proven useful for understanding the biochemical basis of physiological events at different stages of drug development. Our team of experts can provide up to a millisecond of simulation time for the system of your choice, so you don't have to worry about technical issues.
Our Statistical Analysis Strategies Targeting ARL-1
In computational biology analysis, statistical analysis is crucial. In addition to testing hypotheses, statistics can provide approximations for unknowns that are difficult or impossible to measure. Our statistical analysis strategies will include:
- Venn Diagram
- PCA Analysis
- PCoA principal coordinate analysis
- RDA/CCA analysis
- Volcano Plot Service
CD ComputaBio has a variety of options available to describe customer-supplied data. Data analysis results can be fed back in the following forms: frequency distribution table, bar graph, histogram, and pie chart.
Reference
- Qi R, Wei G, Ma B, et al. Replica Exchange Molecular Dynamics: A Practical Application Protocol with Solutions to Common Problems and a Peptide Aggregation and Self-Assembly Example. Methods in molecular biology, 2018.
* For Research Use Only.
