Chemical compounds
Chemical compounds
To begin with, chemical compounds, as you may already know, are molecules consisting of two or more different chemical elements. As it can be understood from the definition, nearly everything, living and non-living, contains numerous chemical compounds. Moreover, more and more new compounds are synthesized by researchers to be added to an existing diversity of molecules.
The main goal for development of new compounds is the search for novel drugs to be used in treatment of a variety of diseases - from cancer to allergies. ChemDiv’s stock of chemical compounds provides 1.6 million distinct compounds for multiple target proteins as well as the 75K building blocks database. Since its foundation 30 years ago, the company has been able to put together unique compound collections sold all over the world. Let’s take a closer look at ChemDiv’s stock of compounds and opportunities of its application.
Annotated libraries
Let us begin with a brief history of biological annotation development. Annotated libraries of chemical compounds have their origins in 1988, when Evans and coworkers put forward the idea of forming bio oriented compound collections based on their high biological activity [1]. Compounds in the annotated library fall into three main categories - tools, probes, and drugs (Figure 1, [2]):
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Tools help to investigate molecular mechanisms behind biological processes. They are sometimes non-selective and are commonly used in construction of specific assays. An example of tool chemical compound is forskolin (Figure 1, [2]), which is used in G-protein coupled receptor (GPCR) studies to increase the basal cAMP, which in turn creates an assay window for ligand detection.
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Probes, on the other hand, are designed to regulate specific pathways and/or proteins. An ideal probe chemical compound has high affinity, stability, efficacy and selectivity. Probes such as MEK1/2 inhibitor PD0325901 (Figure 1, [2]) bind to the allosteric site of the specific target instead of the orthosteric site, which results in higher selectivity even among the same class of protein kinases.
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Drugs are the last but not the least category of annotated library compounds. Because of the potential of their applications, drugs are subject to strict requirements: they must have low toxicity, high bioavailability and so on. There are plenty of examples of FDA-approved drugs, and ChemDiv offers a library containing analogues of them.
Figure 1. Different kinds of compounds in annotated libraries [2].
ChemDiv’s chemical database provides 17 annotated libraries, including antiviral collection, human GPCR annotated collection, CNS target protein annotated collection, etc. Each collection contains information about target proteins, chemical compounds from the stock and annotated target activity.
Diversity libraries
The successful screening of chemical compound libraries as a part of the drug development process depends directly on various factors, including size of the stock, its quality, and, of course, diversity of the stock. Diversity of chemical compounds provides knowledge of how well the amount of possible compound variants (or so-called chemical space) is covered.
Compound diversity can be achieved by varying several structural and physico-chemical properties of molecules. Analysis of molecular scaffolds (core structure of a molecule with preferable bioactive properties) is used to conduct measurements of diversity. Another widespread approach to diversity measurement is molecular fingerprints, particularly useful in calculating similarity coefficients such as Tanimoto coefficient [3].
ChemDiv’s diversity libraries cover the chemical space of millions of chemical compounds. Diversity in collections is provided by numerous parameters (Figure 2): 3D shape of the molecule, pharmacophore diversity, difference in molecular scaffolds, physico-chemical properties, etc.
Figure 2. ChemDiv’s 3D-Diversity Natural-Product-Like Library compound selection pipeline
Focused libraries
Focused, or targeted, chemical compound collections are required if a certain biological process under study has a protein proven as potential molecular target (or a group of proven molecular targets with similar properties). Target protein is chosen on the basis of the well-studied molecular mechanisms. Such a target does usually have a known native structure, which allows researchers to use computational methods for selection of possible ligands to be linked to the binding site of the protein.
In the absence of information about structural properties of the target there are alternative methods of focused libraries selection. First of them relies on the predictions of the protein’s binding site structural properties made from amino acid sequence. Second alternative approach uses known ligands of the protein to construct and choose molecules with similar molecular scaffolds [4].
ChemDiv offers over 100 predesigned focused libraries for specific targets and families of targets. Those include ion channels, GPCR, proteases, coronavirus and numerous other interesting targets for research. The focused libraries are formed on the basis of the modern pharmaceutical industry needs via analysis of the newest biological and chemical articles, target determination, search for molecular scaffolds of potential ligands both in silico and in vitro. In addition to that, ChemDiv provides custom focused library selection on request.
Summary
ChemDiv has a large chemical database of compounds and predesigned libraries of chemical compounds meeting a diverse variety of customer requests. ChemDiv’s research team follows current trends in today’s drug discovery, which allows to update the chemical database of libraries regularly based on the needs of modern science. Besides pre-preparation of libraries, the company gives a unique opportunity to customize your own library based on the inquiry as well as purchase an existing predesigned collection.
References
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Evans BE, Rittle KE, Bock MG, et al. “Methods for drug discovery: development of potent, selective, orally effective cholecystokinin antagonists”. J Med Chem. 1988;31(12):2235-2246.
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Wassermann AM, Camargo LM, Auld DS. “Composition and applications of focus libraries to phenotypic assays”. Front Pharmacol. 2014;5:164. Published 2014 Jul 24.
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Saldívar-González FI, Huerta-García CS, Medina-Franco JL. “Chemoinformatics-based enumeration of chemical libraries: a tutorial”. J Cheminform. 2020;12(1):64. Published 2020 Oct 27.
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Harris CJ, Hill RD, Sheppard DW, Slater MJ, Stouten PF. “The design and application of target-focused compound libraries”. Comb Chem High Throughput Screen. 2011;14(6):521-531.
Exploring the World of Chemical Compounds with ChemDiv
In the realm of modern science and industry, chemical compounds play a pivotal role. They are the building blocks of countless products and processes, from life-saving medications to innovative materials that shape our future. Among the key players in supplying these essential compounds is ChemDiv, a company renowned for its extensive catalog and commitment to quality.
Understanding Chemical Compounds
Chemical compounds are substances composed of two or more elements chemically bonded together in a fixed ratio. They can be categorized into various types based on their composition and properties. For instance, organic compounds contain carbon and are often associated with living organisms, while inorganic compounds do not contain carbon and are typically found in non-living matter.
The importance of chemical compounds in scientific research and industrial applications cannot be overstated. They are used in pharmaceuticals to develop new drugs, in agriculture to enhance crop yields, in materials science to create stronger and more durable materials, and in many other fields.
ChemDiv: A Trusted Source of Chemical Compounds
ChemDiv is a company that specializes in providing a wide range of chemical compounds to meet the diverse needs of its clients. With a focus on quality, reliability, and customer service, ChemDiv has established itself as a leader in the field of chemical suppliers.
One of the key strengths of ChemDiv is its extensive catalog of chemical compounds. The company offers a variety of compound libraries, each designed to meet specific research needs. These libraries include:
Diverse Compound Libraries: These libraries contain a wide range of small molecules that are used for high-throughput screening in drug discovery. They are designed to provide researchers with a broad spectrum of compounds to explore.
Natural Product-Inspired Libraries: These libraries are inspired by the structural diversity found in natural products. They offer a rich source of bioactive compounds for drug discovery, making them invaluable for researchers in the pharmaceutical industry.
Screening Libraries: These libraries are specifically curated for high-throughput screening campaigns. They help researchers identify hits quickly and efficiently, streamlining the drug discovery process.
Focused Libraries: These libraries are tailored to specific therapeutic areas or biological targets. They provide a targeted approach to drug discovery, allowing researchers to focus on compounds that are most likely to be effective.
In addition to its extensive catalog, ChemDiv also offers custom synthesis services. This means that the company can produce specific chemical compounds according to the requirements of its clients. This service is particularly useful for researchers who need unique or hard-to-find compounds for their studies.
Why Choose ChemDiv?
There are several reasons why ChemDiv stands out as a trusted source of chemical compounds:
Quality: ChemDiv guarantees the high quality of its products and services. The company adheres to all necessary standards and regulations, ensuring that its compounds meet the highest standards of purity and potency.
Variety: With a wide range of compound libraries and custom synthesis services, ChemDiv can meet the diverse needs of its clients. Whether researchers need a broad spectrum of compounds or specific compounds tailored to their research, ChemDiv has the solutions they need.
Reliability: ChemDiv has a proven track record of reliability and customer satisfaction. The company's commitment to quality and service has earned it the trust of researchers and industries worldwide.
Expertise: ChemDiv's team of experts has extensive knowledge and experience in the field of chemical compounds. They can provide valuable insights and guidance to help researchers make the most of their compounds.
Customer Service: ChemDiv is known for its excellent customer service. The company's team is always ready to assist clients with their inquiries and ensure that they have the support they need to succeed.
Conclusion
Choosing the right supplier of chemical compounds is crucial for the success of any research or industrial project. With its extensive catalog, commitment to quality, and exceptional customer service, ChemDiv is a trusted partner for researchers and industries around the world. Whether you need a diverse range of compounds for high-throughput screening or specific compounds tailored to your research, ChemDiv has the solutions you need to achieve your goals.
