Leucine-rich repeat kinase 2 (LRRK2) Inhibitors Library

Leucine-rich repeat kinase 2 is one of the most pursued targets for Parkinson's disease (PD) treatment. Furthermore, it has recently described its role in regulating Wnt signaling and, therefore, it may be involved in adult neurogenesis. LRRK2 plays an important role in many cellular processes, such as vesicular trafficking, microtubule dynamics, protein translation control, inflammation, and immune function. A thorough understanding of the protein domain organization and identification of interacting partners is important to determine the underlying mechanisms of LRRK2. Inhibitors of LRRK2 kinase activity can be considered as pharmacological probes to study neuroregeneration of the damaged brain. Scientists have completed extensive researches to identify effective LRRK2 kinase inhibitors from a range of chemotypes, which can be used as new tools to better interrogate LRRK2 function.

Figure 1. LRRK2 function in immune pathways. (Rastegar ,D. A.; Dzamko, N. 2020)

Library Design

At BOC Sciences, our teams have employed an in silico screening method based on molecular docking approach to generate this library which contains novel chemical structures with well-predicted affinity to the active site

• A receptor-based virtual screening process is created based on the reference set of bioactive compounds clustered by structure
• The compounds in the HTS compound collection have been pre-filtered using BOC Sciences' internal filters and then docked at the active site
• Five different scaffolds are identified, and a conformer search calculations and cross-alignments are performed to determine a possible active conformations for each cluster’s core structures
• Finally, our team constructs and validate five different QSAR models for subsequent prediction of structurally diverse screening compounds with potential LRRK2 inhibitory activity from the BOC Sciences HTS compound collection

LRRK2 Inhibitors Library Characteristics

• 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. Domain structure of LRRK2. (Rastegar ,D. A.; Dzamko, N. 2020)

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 Leucine-rich repeat kinase 2 (LRRK2) Inhibitors Library design at competitive prices for global customers. Personalized and customized services of Leucine-rich repeat kinase 2 (LRRK2) Inhibitors 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!