封面：基于结构的新型杂环支架TgCDPK1抑制剂药物设计（ChemMedChem 18/2025）

IF 3.4 4区医学 Q2 CHEMISTRY, MEDICINAL

ChemMedChem Pub Date : 2025-09-29 DOI:10.1002/cmdc.70056

Anoopjit Singh Kooner, Mariah Norman, Igi Vilza, Michael P. Mannino, Mary Savari Dhason, Jon Helander, Shrushti Patil, L. David Sibley, James W. Janetka

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引用次数: 0

摘要

封面图显示了使用Schrödinger在TgCDPK1 ATP结合位点上咪唑[1,5-a]吡嗪（左上）、喹啉羧酰胺（右上）、苯并咪唑（左下）、吡咯[2,3-d]嘧啶（中）和吡咯[2,3-b]吡啶（右下）支架的二维相互作用图。更多细节可以在James W. Janetka及其同事的研究文章中找到（DOI: 10.1002/cmdc.202500440）。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Front Cover: Structure-Based Drug Design of Novel Heterocyclic Scaffolds as TgCDPK1 Inhibitors (ChemMedChem 18/2025)

查看原文本刊更多论文

Front Cover: Structure-Based Drug Design of Novel Heterocyclic Scaffolds as TgCDPK1 Inhibitors (ChemMedChem 18/2025)

The cover image shows a 2D interaction maps of the imidazo[1,5-a]pyrazine (top left), quinoline carboxamide (top right), benzimidazole (bottom left), pyrrolo[2,3-d]pyrimidine (middle), and pyrrolo[2,3-b]pyridine (bottom right) scaffolds in the TgCDPK1 ATP binding site using Schrödinger. More details can be found in the Research Article by James W. Janetka and co-workers (DOI: 10.1002/cmdc.202500440).

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来源期刊

ChemMedChem 医学-药学

CiteScore

6.70

自引率

2.90%

发文量

280

审稿时长

1 months

期刊介绍： Quality research. Outstanding publications. With an impact factor of 3.124 (2019), ChemMedChem is a top journal for research at the interface of chemistry, biology and medicine. It is published on behalf of Chemistry Europe, an association of 16 European chemical societies. ChemMedChem publishes primary as well as critical secondary and tertiary information from authors across and for the world. Its mission is to integrate the wide and flourishing field of medicinal and pharmaceutical sciences, ranging from drug design and discovery to drug development and delivery, from molecular modeling to combinatorial chemistry, from target validation to lead generation and ADMET studies. ChemMedChem typically covers topics on small molecules, therapeutic macromolecules, peptides, peptidomimetics, and aptamers, protein-drug conjugates, nucleic acid therapies, and beginning 2017, nanomedicine, particularly 1) targeted nanodelivery, 2) theranostic nanoparticles, and 3) nanodrugs. Contents ChemMedChem publishes an attractive mixture of: Full Papers and Communications Reviews and Minireviews Patent Reviews Highlights and Concepts Book and Multimedia Reviews.