2019-nCoV Main Protease Targeted Library

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) brutally perils physical and mental health worldwide. The virus emerged in late 2019, and have caused severer diseases associated with significant deaths. The lack of effective antiviral drugs contributes to the global threat of COVID-19 caused by SARS-CoV-2. There are no target-specific drugs against SARS-CoV-2, and scientists are exploring new drug candidates that target the viral replication cycle. In this context, the SARS-CoV-2 main protease is a key target for drug discovery, and the sequence and structure of this protease are closely related to those from other betacoronaviruses, contributing to drug discovery based on previous lead compounds. Currently, many studies are focused on identifying natural phytochemicals from medicinal plants, in order to repurpose them against COVID-19 through molecular docking and molecular dynamics (MD) simulation studies.

Considering that, BOC Sciences provides a specialized library for screening compounds that target 2019-nCoV main protease.

Figure 1. Schematic figure showing the potential complications of COVID-19 affecting organ systems. ( Steuten, K.; et al. 2021)

2019-nCoV Main Protease Targeted Library Design

Shortly after the outbreak of coronavirus disease (COVID-19), the major proteases in the 2019-nCoV complex with inhibitor N3 have been rapidly used by BOC Sciences to design the focused library of compounds targeting this key viral enzyme.

• We have applied a docking-based virtual screening strategy for the HTS compound collection to search for potential 2019-nCoV protease active site binders
• In addition, we do not utilize the docking constraints, aiming to explore as many location and orientation of ligands as possible
• Toxicology/reactive group screening and filtering are applied to generate more than 2,300 drug-like screening compounds
• BOC Sciences' 2019-nCoV library is not yet Ro5 compliant as many peptide-mimetic compounds will be filtered out

2019-nCoV Main Protease Targeted Library Characteristics

• 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. SARS-CoV-2 Potential Pharmacologic Targets. (Ashley, B.; et al. 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 2019-nCoV Main Protease Targeted Library design at competitive prices for global customers. Personalized and customized services of 2019-nCoV Main Protease 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!