c-AMP Dependent Protein Kinase (PKA) Targeted Library

Protein kinases play a key role in cellular signaling, and they have proven to be druggable and clinically important. Protein kinase A (PKA) is capable of regulating a large number of processes, including growth, development, memory, metabolism, and gene expression. Dysregulation and mutation of PKA can even lead to cancer, making protein kinases important targets for the treatment of a variety of serious diseases. The reproducible recombinant expression, stability and crystalline nature of PKA make this unique kinase a valuable research tool. In recent years, PKAs have gained a wide attention as diagnostic biomarkers due to their overexpression and plasma secretion to blood plasma with several cancers. In addition, cyclic adenosine monophosphate (cAMP) can regulate cellular processes, making PKA an ‘antitarget’ for most protein kinase inhibition strategies. Therefore, many scientists are committed to investigating potent and selective inhibitors of protein kinase A.

BOC Sciences has developed a c-AMP dependent protein kinase targeted library of inhibitors of protein kinase A.

Figure 1. Schematic diagram of the cAMP/PKA signalling pathway. (Nancy, G.; et al. 2008)

Library Design

1. Firstly, we apply the X-ray structure of human protein A with co-crystalized inhibitor (3MVJ PDB entry) with resolution of 2.49Å for in silico screening of BOC Sciences compounds collection
2. The protein binding site model and a molecular docking procedure is carried out subsequently
3. Then, our teams identify and analyze the crucial amino acid residues that are responsible for the ligand binding

Polar contacts with Val123, Thr183 and Glu121 are defined as docking constraints

• Finally, BOC Sciences employs well-designed scoring functions to select hit compounds

c-AMP Dependent Protein Kinase (PKA) Targeted Library Characteristics

• RMSD value of 1.5 Å between crystallographic binding conformation and docking pose has proved a good prediction ability of the virtual screening
• 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

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 c-AMP Dependent Protein Kinase (PKA) Targeted Library design at competitive prices for global customers. Personalized and customized services of c-AMP Dependent Protein Kinase (PKA) 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!