ABI gene family member 3 (ABI3) is also called a new molecule, including SH3 (Nesh), a protein encoded by the ABI3 gene in humans. This gene encodes a member of the adaptor protein family. Members of this family encode proteins containing homeobox homology domains, proline-rich regions, and Src homology 3 (SH3) domains. The encoded protein inhibits the ectopic metastasis and cell migration of tumor cells. This can be achieved through interaction with p21 activated kinase.
Research reports have revealed how immune cells called microglia in the brain are associated with gene mutations recently discovered in patients with Alzheimer’s disease. Researchers have found that removing the gene called ABI3 may significantly increase the brain The accumulation of β-amyloid plaques and reduce the level of microglia around the plaques. The researchers said that the deletion of this gene will damage the movement of microglia. Immune cells cannot get close to the plaques to try to clear the protein. Amyloid plaques are usually found in the brains of Alzheimer’s patients, and beta amyloid The protein aggregates and forms plaques, which can destroy the connections of nerve cells. [1]
Our Services
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Provide computer-aided drug design services to design ABI3 agonist molecules for you. Our screening can include forward screening and reverse screening. Design methods include structure-based drug design and fragment-based drug design.
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Using the molecular docking operation between small molecule compounds and drug targets, we provide virtual screening services, which can quickly screen out active compounds with drug-ability, which greatly reduces the number of experimentally screened compounds, shortens the research cycle, and reduces drug development cost.
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Provide services such as structural optimization and energy minimization for the selected advantageous ligands.
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Using a variety of computer models and massive pharmacological databases to accurately predict essential properties, our ADMET prediction services can help research and eliminate molecules with poor ADMET properties.
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Provide molecular dynamics simulation and molecular docking services between agonists and ABI3.
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Choose the appropriate molecular dynamics simulation conditions for you.
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Provide related result analysis service.
Provided by Clients
Please inform us of the details about your ABI3 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
CD ComputaBio provides not only high-quality services but also technical supports. At the same time, we are also willing to develop related applications together with customers, truly tailor-made services.
- The customer's technical specifications and application requirements determine our process and design. In cooperation with customers, we attach great importance to product quality and long-term business relationships.
- Based on high-quality data analysis, the analysis content and methods verified by the pre-research are indeed mature and feasible.
If you want to know more about ABI3 targeting services provided by CD ComputaBio, please contact us at any time.
Reference:
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Hande Karahan, Daniel C. Smith, Byungwook Kim., et al. Deletion of Abi3 gene locus exacerbates neuropathological features of Alzheimer's disease in a mouse model of Aβ amyloidosis. Science Advances, 2021.7(45).
* For Research Use Only.
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