The human IL-6 gene is located in the 1st band of the short arm 2 of chromosome 7. The gene is 5 kb in length, composed of 5 exons and 4 introns, and has gene polymorphisms. The precursor of IL-6 protein consists of 212 amino acids, and the signal peptide consists of 28 amino acid residues at the N-terminus, so the mature IL-6 is a polypeptide of 184 amino acid residues. IL-6 exerts its biological effects mainly by binding to its receptors. IL-6 receptor is composed of receptor structural chain and signal transduction chain, namely IL-6R and inducible glycoprotein 130 (gp130), of which IL-6R is found on the membrane of hepatocytes, monocytes and some lymphocytes, and gp130 can Expressed on more cells. gp130 forms homodimers, which in turn activate Janus protein tyrosine kinase 2 (JAK2), signal transducer and activator of transcription 3 (STAT3), phosphatidylinositol 3-kinase (PI3K), protein kinase B (AKT) and Ras protein/extracellular signal-regulated kinase (ERK) signaling pathway to exert biological effects. Activated IL-6/JAK2/STAT3 signaling pathway promotes inflammatory response, and promotes tumor cell proliferation, angiogenesis and metastasis. Therefore, tumor therapy by targeting IL-6 is a better drug development direction. CD ComputaBio provides IL-6 targeting services to customers to accelerate their research progress.
Figure 1. The signaling pathway of IL-6 and sIL6R. (Ashraf S. Yousif, et al.; 2021)
Our Services
- Targeted Protein Structural Analysis
The crystal structure of IL-6 protein molecule can be obtained by X-ray single crystal diffraction technology or 3D structure simulation of existing homologous molecules, and then the information of its binding site can be determined;
- Analysis of target protein properties
We can use molecular simulation software to analyze the structural properties of the IL-6 binding site, such as electrostatic field, hydrophobic field, and distribution of hydrogen bonding sites;
After obtaining the binding site information, use database search software or new drug molecular design technology to screen molecules whose molecular morphology and physicochemical properties match the IL-6 action site;
- Candidate compound validation
Finally, we synthesize and test the screened molecules, and after multiple rounds of screening, suitable lead compounds can be found.
Why work with us?
- Industry-standard software and hardware
- Proprietary design concepts and tools
- Highly experienced scientists
- Strong track record of success
- Tight integration with allied disciplines
Our Capabilities
In each therapeutic area, CD ComputaBio has accumulated deep expertise in discovery informatics, computational chemistry/molecular modeling, medicinal chemistry, structural biology, in vivo and in vitro pharmacology, and translational science. During the drug discovery process, our team focuses on early lead compounds in different target classes and uses a wide range of techniques, including molecular screening, molecular modeling, medicinal chemistry, structural biology, bioinformatics and computational chemistry, to identify new target the direction of drug development, and then select suitable drug candidates through low-cost, high-efficiency computer simulations to ensure high efficiency and low risk in the later drug development process. Our computational biology team has extensive experience in the research of IL-6 targets. Please consult our professional team for details.
References
- Taniguchi K, et al.; IL-6 and related cytokines as the critical lynchpins between inflammation and cancer. Semin Immunol. 2014,26(1):54-74.
- Lippitz BE., et al.; Cytokine patterns in patients with cancer: A systematic review. Lancet Oncol. 2013,14(6):218-228.
- Hodge DR, et al.; The role of IL-6 and STAT3 in inflammation and cancer. Eur J Cancer. 2005, 41(16):2502-2512.
- Ashraf S. Yousif, et al.; The persistence of interleukin-6 is regulated by a blood buffer system derived from dendritic cells. Immunity. 2021, Volume 54, Issue 2, Pages 235-246.e5.
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