The Effects of Heavy Metals on Human Metabolism
A special issue of Metabolites (ISSN 2218-1989).
Deadline for manuscript submissions: closed (15 March 2023) | Viewed by 3965
Special Issue Editors
Interests: selenium; inorganic mercury; organic mercury; neurodevelopment
Special Issues, Collections and Topics in MDPI journals
Interests: docking molecular; in silico; selenium; mercury; DFT; putative metabolites
Interests: selenium; mercury; organochalcogens; thiols; oxidative stress
Special Issue Information
Dear Colleagues,
The identification and characterization of metabolites are of paramount importance to many areas, such as biology, chemistry, pharmacology, biochemistry, medicine, and agriculture, among others. Many drugs are developed as prodrugs, which after intake are metabolized into pharmacologically active molecules. On the other hand, there are many molecules, inorganic metals, and metal-organic compounds that are administered (accidentally or not), and their active and/or putative metabolites are not characterized. Additionally, endogenous molecules are present in many metabolic/biochemical pathways, and their reactions, enzymes, and proteins involved need to be identified. The characterization of unstable metabolites is an analytical challenge, where many molecules are present only in situ, and their chemical structure cannot be determined using direct and classical methodologies. The development of in silico tools to predict drug metabolism (e.g., ADMET analysis) is essential for the design of biologically active molecules; however, some computational parameters need to be improved to avoid false-positive events, especially for metals. Cell-based assays, including 3D models and organs-on-chips, are essential in this area, and play an important role in preventing the unnecessary use of animal models and human volunteers. Thus, despite the scientific advancements in metabolomics in the last several decades, many studies lack a wide range of molecules. This Special Issue is devoted to the identification and characterization of heavy inorganic metals and metal-organic compounds and the putative effects of metabolites in humans health.
Dr. Cláudia Sirlene Oliveira
Dr. Pablo Andrei Nogara
Prof. Dr. Joao Batista Teixeira Da Rocha
Prof. Dr. Michael Aschner
Guest Editors
Manuscript Submission Information
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Keywords
- metabolites
- prodrug
- metabolic pathway
- in silico
- organ-on-a-chip
- heavy metals
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