Natural Compounds Library

Natural Compounds Library includes an additional collection called the Semi-Natural Compounds Library, which consists of 374 and 16,500 compounds, respectively.

In drug discovery programs, researchers often utilize a common strategy of studying the chemical structures and binding modes of natural substrates (for enzymes) or ligands (for receptors) to design new drugs. This approach is based on the assumption that since substrates/ligands have co-evolved with their corresponding targets for optimal binding, mimicking their structural features can lead to optimal biological effects. Another approach is to explore molecules derived from natural sources that are unrelated to the specific drug target being investigated. It has been reported that at least 60% of the drugs currently on the market have either direct links to natural products or were inspired by natural products. Natural products are compounds that are often produced by living organisms as a means of defense or for gaining an advantage over other organisms. These compounds have been extensively studied for their potential as antifungals, antibiotics, and anti-cancer agents.

Collections of natural products exhibit a wide range of pharmacophores (the part of a molecule that is responsible for its biological activity) and a high degree of stereochemistry. These characteristics contribute to the potential of such collections to provide hits, even against challenging screening targets such as protein-protein interactions. Additionally, natural products may offer advantages over synthetic compounds in terms of being natural metabolites. Successful drugs have been suggested to possess the property of “metabolite-likeness,” which means that they are not only biologically active but are also likely to be substrates for various transporter systems that can efficiently deliver the compounds to their intracellular site of action. This property of high bioavailability could be particularly important as there is a growing trend towards using more functional assays in drug discovery.

Overall, the inclusion of the Semi-Natural Compounds Library in Natural Compounds Library offers a diverse range of compounds with potential therapeutic value. By harnessing the structural features, pharmacophores, and stereochemistry of natural products, researchers can explore a valuable resource for discovering new drug candidates and expanding our understanding of drug-target interactions.