Lead Compound Screening and Optimization Services

Selection and optimization of lead compounds

• Select a lead candidate from compounds with similar functional mechanisms
• Validate efficacy by gaining insight into target/molecular interactions and actual mechanisms
• Analyse the metabolites of the predicted compounds and select the best structure optimization strategy based on the structural characteristics of the major metabolic sites

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During the development of a new drug, once a useful therapeutic target has been identified and proven, the identification of lead compounds is the first step in new drug development. In general, many potential compounds are screened and a large number of tight binders are identified. These compounds then undergo rounds of screening with increasing stringency to determine their suitability for lead optimization. Once many leads are available, the next step is optimization. Medicinal chemistry is applied to improve the specificity of the lead to the target, optimize the pharmacokinetic properties and bioavailability of the compound, and perform preclinical testing of the compound in animals.

Lead compound structure optimization is a key component of new drug development. By changing the metabolic pathways of lead compounds the pharmacokinetic properties of the compounds can be improved, the duration of drug action in vivo can be prolonged, metabolic stability can be enhanced and bioavailability can be improved. Metabolomics is a powerful technique that helps to identify lead compounds and their corresponding targets. The metabolites of a compound can be predicted by analysis and the best structure optimization strategy can be selected based on the structural characteristics of the major metabolic sites.

Creative Proteomics offers metabolomics solutions for the screening and optimization of lead compounds. Multiple pathways and potential physiology can be investigated immediately and comprehensively to fully understand pharmacological efficacy while identifying and minimizing the risk of potential off-target effects.

Analysis Strategies for Lead Compound Screening and Optimization Services

Untargeted metabolomics, as an unbiased metabolomic analysis, is easy to handle samples and can comprehensively and systematically reflect the metabolomic characteristics of biological samples. However, it has a limited linear range, poor reproducibility and complex metabolite confirmation. Targeted metabolomics has a wide linear range, good reproducibility and sensitivity, and simple metabolite confirmation. However, it requires prior knowledge of the analyte and is a biased metabolomics analysis. The combination of the two can be a powerful tool for differential metabolite discovery and accurate quantification.

Creative Proteomics uses metabolomics to help enable the discovery and optimization of lead compounds, providing strong support for subsequent preclinical testing. If you are interested in this topic or would like to learn more, please contact us. We are looking forward to working with you.