Akt-Targeted Library

Akt kinase, also known as protein kinase B (PKB), is one of the key members of the extended serine/threonine protein kinase family. This type of kinase plays an important role in a variety of cellular processes, such as glucose metabolism, cell proliferation, apoptosis, transcription and cell migration. Three major isoforms of Akt have been identified in human cells: Akt1, Akt2 and Akt3. Akt1 can block apoptosis and thus promotes cell survival, and is therefore considered to be a major factor in many types of cancer. Moreover, Akt2 is an important signaling molecule in the insulin signaling pathway. Akt is associated closely with tumor cell survival, proliferation and invasiveness, and activation of Akt is also associated with human cancer and tumor cells.

BOC Sciences is able to design and synthesize a reliable Akt-targeted library to generate 15,000 compounds.

Application of Akt kinase

• Akt kinase has three closely related and highly conserved sequence identity cellular homologues
• Akt kinase plays an important role in glucose metabolism, cell proliferation and cell migration
• Aberrant activation of the active pathway is widely applied in may types of cancer

Figure 1. Schematic diagram of key signaling pathways in gastric cancer cells. (Wong, H.; Yau, T. 2012)

Library Design Process

1. Structure morphing procedures
   Unique morphing and funneling procedures are conducted in designing novel potential Akt-ligands with high IP values
2. Self-organizing Kohonen Maps
   We have applied neural network tools for target-library profiling
3. Docking
   BOC Sciences supports a 3D-molecular docking method to focused library design
4. ADME/Tox
   In silico ADMET/Tox assessment: Brain-blood barrier permeability, human intestinal absorption

Table1. The summary of the BOC Sciences Akt-Targeted Library characteristics

Akt-Targeted Library Characteristics

• Random forest classification models are developed as initial screening filters
• Minmax algorithm is designed for diversity selection of scaffolds
• Prediction of physicochemical parameters by ICM models
• Favorable physicochemical parameters and solubility requirements
• No PAINS or toxic substances/unwanted functions: filtered by strict ‘Ro5-like’ physicochemical and most stringent in-house structural filters
• Bioactivity and safety confirmed by preclinical studies and clinical trials
• Structural diversity, medicinal activity, and cellular penetration
• Structural document, IC₅₀, and other chemical and biological data are provided
• All compounds are continually updated
• Compound cherry-picking service is provided

Figure 2. Summary of overexpression or mutation in the signaling pathways of gastric cancer cells. (Wong, H.; Yau, T. 2012)

What We Deliver

• Delivered within 2 weeks in any customer-preferred format
• Powders, dry films or DMSO solutions formatted in vials, 96 or 384-well plates
• All compounds have a minimum purity of 90% assessed by ¹H NMR and HPLC
• Analytical data is provided

BOC Sciences provides professional, rapid and high-quality services of Akt-Targeted Library design at competitive prices for global customers. Personalized and customized services of Akt-Targeted Library design can satisfy any innovative scientific study demands. Our clients have direct access to our staff and prompt feedback to their inquiries. If you are interested in our services, please contact us immediately!