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Metabolite profiling and identification studies are vital for the design and optimization of lead compounds, the selection of drug candidates, and the support of drug-drug interaction evaluation, and metabolites in safety testing in drug development. A clear understanding of metabolic pathway and metabolite structures is crucial for accelerating drug development, as it enables the rapid acquisition of their reference standards and informs the design of subsequent research. While LC-MS/MS is widely used for metabolite identification, precisely determining the structure of target metabolites presents significant challenges due to the complex nature of drug molecules, multiple stereocenters, lower concentrations, and matrix effects. Therefore, obtaining the precise structure of target metabolites (active metabolites and disproportion metabolites) quickly and efficiently is essential for drug development. In this webinar, we will explore common approaches for precise structure identification of metabolites, such as HRMS, chemical derivatization combined HRMS. Additionally, we will highlight in vitro and in vivo biosynthesis approaches, discussing strategies, workflows, and case studies to illustrate their application.
Learning Objectives:
Understand the critical role of metabolites in drug development.
Identify the key challenges and common methodologies in metabolite identification.
Explore the potential of biosynthesis techniques for precise structural identification of metabolites.
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Metabolite profiling and identification studies are vital for the design and optimization of lead compounds, the selection of drug candidates, and the support of drug-drug interaction evaluation, and metabolites in safety testing in drug development. A clear understanding of metabolic pathway and metabolite structures is crucial for accelerating drug development, as it enables the rapid acquisition of their reference standards and informs the design of subsequent research. While LC-MS/MS is widely used for metabolite identification, precisely determining the structure of target metabolites presents significant challenges due to the complex nature of drug molecules, multiple stereocenters, lower concentrations, and matrix effects. Therefore, obtaining the precise structure of target metabolites (active metabolites and disproportion metabolites) quickly and efficiently is essential for drug development. In this webinar, we will explore common approaches for precise structure identification of metabolites, such as HRMS, chemical derivatization combined HRMS. Additionally, we will highlight in vitro and in vivo biosynthesis approaches, discussing strategies, workflows, and case studies to illustrate their application.
Learning Objectives:
- Understand the critical role of metabolites in drug development.
- Identify the key challenges and common methodologies in metabolite identification.
- Explore the potential of biosynthesis techniques for precise structural identification of metabolites.
Speaker Information
Juntao Wang, Ph.D.
Dr. Juntao Wang holds a Ph.D. in Medicinal Chemistry and serves as a Principal Investigator in the DMPK Service Department at WuXi AppTec. She has extensive expertise in metabolite profiling and identification across a wide range of therapeutic modalities, including small-molecule drugs, PROTACs, peptides, and ADCs. Dr. Wang is highly skilled in metabolite biosynthesis, utilizing both in vivo and in vitro systems to achieve precise structural identification of phase I and phase II metabolites. Her contributions include involvement in over 150 screening and investigational new drug (IND) projects, as well as more than 20 biosynthesis projects.