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.

《药物化学杂志》发表的研究有助于理解分子结构与生物活性或作用方式之间的关系。

一些适当的特定领域包括：

* 设计、合成和生物学评估用作药理学工具的新型生物活性化合物、诊断剂或标记配体。

* 对已报道的系列进行分子修饰，从而显著提高对其结构-活性关系 (SAR) 的理解。现有系列的常规扩展，如果不采用新的化学或生物学方法，或者没有显著增加对系列 SAR 的基本理解，通常不会被接受出版。

*相关配体和靶标的结构生物学研究（X 射线、NMR 等），旨在研究生物活性化合物作用中的分子识别过程。

*大分子靶标的分子生物学研究（例如，定点诱变），可提高对分子识别的理解。

*计算研究，为当前普遍感兴趣的化合物系列的 SAR 提供新的见解，或分析其他可用数据，从而促进药物化学知识。

*具有显著价值的实质上新颖的计算化学方法，可用于生物活性分子的鉴定、优化或靶标相互作用分析。

*分子结构对生物活性分子的分布、药代动力学和代谢转化的影响化合物。这可能包括新型前体药物的设计、合成和评估。

* 广泛应用于药物化学的新方法，但前提是这些方法已经在相关分子上进行了测试。

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