Natural Compound Library

Most of natural products (NPs) have complex structures and rich stereo-configurations as well as polyfunctionalization. Small natural compound molecules have been proven to facilitate the modulation of protein-protein interactions. Therefore, NPs are ideal for chemical biology and drug discovery research, and it is an inevitable trend to build a library of natural product compounds with molecular diversity and structural complexity. With the rapid development of chemical genomics and high-throughput screening technologies, and the completion of human genome sequencing, there is an urgent need to rapidly build a library of natural product compounds with diverse skeletons, complex structures and rich stereochemistry for faster and better drug discovery and chemical biology research.

BOC Sciences has integrated multiple strategies to develop a high quality Natural Compound Library which can satisfy the competitive criteria of coverage (‘representativeness’), availability, and cost.

Figure 1. Creating and screening natural product libraries. (Wilson, B.; et al. 2020)

Our Services

• Structure Analysis of Natural Products

Structural analysis of natural products helps to identify natural product molecules with druggable properties. Scientists use analytical and computational methods in tandem to perform structural analysis of NPs, especially those with undesirable properties. BOC Sciences can provide a diverse range of structural analysis services including similarity-based ranking, NPs identification, computer-aided structure elucidation and machine learning, delivering high quality NPs for natural compound library construction.

• Property Analysis of Natural Products

In general, natural products have higher molecular weights and are highly hydrophobic. Their structures are also complex, especially in terms of stereochemistry and three-dimensional molecular shapes. Scientists have employed many advanced computational tools to study the physicochemical and structural properties of NPs. BOC Sciences can use the expertise and extensive experience in cheminformatics to characterize the physicochemical and structural properties of NPs, and can custom design high-quality natural product libraries by quantifying the natural product-likeness of compounds to accurately distinguish NPs from other small molecule drugs and drug-like compounds.

• Structural Diversity Assessment of Natural Products

NPs tend to possess a higher structural diversity compared to other synthetic compounds. Researchers have introduced the concept of scaffolds to assess structural diversity of NPs. At BOC Sciences, we have integrated multiple software and computational tools including Scaffold Hunter, principal component analysis, ChemGPS, statistical-based database fingerprint and so on, to visualize the NP-specific scaffolds. Our professional teams aim to provide a library containing natural compounds with high structural diversity.

• Diversity-oriented Synthesis (DOS)

The most common strategy for the efficient synthesis of natural product libraries with diverse scaffold is diversity-oriented synthesis (DOS), which introduces a wide range of molecular diversity and structural complexity while maintaining certain properties of natural products. BOC Sciences is proficient in applying the Build/Couple/Pair synthesis strategy for diversity-oriented synthesis of specific natural products, and our unique DOS platform supports both functional group pairing pattern recognition (FGPPR) and multiplex combinatorial biosynthesis ( MCB) methods.

• Protein Structure Similarity Clustering (PSSC)

Biology oriented synthesis is a method for synthesizing novel compounds with high biological activity using a number of ‘prevalidated’ structures. PSSC and scaffold trees are the two main biosynthesis techniques in which PSSC approach is the major approach to design target clusters and structural template libraries. BOC Sciences, with the professional knowledge in PSSC and years of experience in biosynthesis, is able to develop a natural compound library based on scaffold for our customers.

Features of Natural Compound Library

• Ready to use for (high-throughput) screening analysis
• Only active and promising natural compounds will be included in the library
• Our medicinal chemistry expert team supports further modifications and fine-tuning of physiological parameters
• Our library has a diverse compound portfolio with excellent ADME properties to shorten the lead discovery process
• Cost-effective and time-saving

BOC Sciences provides professional, rapid and high-quality services of Natural Compound Library design at competitive prices for global customers. Personalized and customized services of Natural Compound 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!