The APOE gene is clustered with apolipoprotein C1 (APOC1) and apolipoprotein C2 (APOC2) mapped to chromosome 19. The APOE gene consists of four exons and three introns, with a total of 3597 base pairs. APOE is activated by liver X receptor (an important regulator of cholesterol, fatty acid and glucose homeostasis) and peroxisome proliferator activated receptor γ (a nuclear receptor that forms a heterodimer with retinoid X receptor) Transcription activation is activated. In melanocytes, the expression of APOE gene may be regulated by MITF.
According to reports, apolipoprotein E (ApoE) is the main genetic risk factor for the onset of Alzheimer's disease, so it is a potential target for drug development. Studies have found that a new type of ApoE antagonist may block the interaction between ApoE and N-terminal amyloid precursor protein (app). In addition, a peptide antagonist named 6KapoEp may reduce Alzheimer’s Murder's disease-related beta amyloid and tau pathological manifestations in the brain, while also improving the learning and memory abilities of genetically engineered mice (simulating Alzheimer's disease symptoms). [1]
Our Services
- Design a series of small molecule inhibitors for the target APOE.
- For the above inhibitors, we will optimize them, and use computational, high-throughput, and other methods to screen compounds.
- Design, optimize and screen peptide inhibitors for you.
- Provide molecular docking and molecular dynamics simulation services for small molecule inhibitors.
- Provide molecular docking and molecular dynamics simulation services for peptide inhibitors.
- Choose the appropriate molecular dynamics simulation force field and other simulation conditions for you.
- Provide analysis services, including binding affinity analysis, energy analysis, and binding mode analysis.
- Use statistical techniques to process data and analyze results.
Provided by Clients
Please inform us of the details about your APOE targeting research project after signing a non-disclosure agreement, which can be specific to the force field of molecular dynamics simulation, and the result analysis requirements.
Deliverables
- The original structure of designed small molecule inhibitors
- The original structure of peptide inhibitor
- High-throughput screening and structure optimization results
- The initial structure of the simulation system
- Raw data of molecular dynamics results
- Binding free energy calculation results
- Other calculation and analysis results
Our Advantages
- With advanced simulation software, our team is committed to providing customers with a full range of target calculation support and services.
- We have strict quality control on every step of computing service to ensure that our customers receive high-quality data.
- Our team has deep scientific literacy and years of industry experience, which can bring deeper and deeper professional knowledge and rich experience to customers.
If you want to know more about APOE targeting services provided by CD ComputaBio, please contact us at any time.
Reference:
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Ds A , Ah A , Hh A , et al. A Novel Apolipoprotein E Antagonist Functionally Blocks Apolipoprotein E Interaction With N-terminal Amyloid Precursor Protein, Reduces β-Amyloid-Associated Pathology, and Improves Cognition. Biological Psychiatry, 2019, 86(3):208-220.
* For Research Use Only.
