Journal of Medicinal Chemistry

The Journal of Medicinal Chemistry publishes studies that contribute to an understanding of the relationship between molecular structure and biological activity or mode of action. Some specific areas that are appropriate include the following: Design, synthesis, and biological evaluation of novel biologically active compounds, diagnostic agents, or labeled ligands employed as pharmacological tools. Molecular modifications of reported series that lead to a significantly improved understanding of their structure-activity relationships (SAR). Routine extensions of existing series that do not utilize novel chemical or biological approaches or do not add significantly to a basic understanding of the SAR of the series will normally not be accepted for publication. Structural biological studies (X-ray, NMR, etc.) of relevant ligands and targets with the aim of investigating molecular recognition processes in the action of biologically active compounds. Molecular biological studies (e.g., site-directed mutagenesis) of macromolecular targets that lead to an improved understanding of molecular recognition. Computational studies that provide fresh insight into the SAR of compound series that are of current general interest or analysis of other available data that subsequently advance medicinal chemistry knowledge. Substantially novel computational chemistry methods with demonstrated value for the identification, optimization, or target interaction analysis of bioactive molecules. Effect of molecular structure on the distribution, pharmacokinetics, and metabolic transformation of biologically active compounds. This may include design, synthesis, and evaluation of novel types of prodrugs. Novel methodology with broad application to medicinal chemistry, but only if the methods have been tested on relevant molecules.