Rational Design of Drugs Targeting G-Protein-Coupled Receptors: Ligand Search and Screening

IF 2.3 4区 生物学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Biochemistry (Moscow) Pub Date : 2024-05-31 DOI:10.1134/S0006297924050158
Aleksandra P. Luginina, Andrey. N. Khnykin, Polina A. Khorn, Olga V. Moiseeva, Nadezhda A. Safronova, Vladimir A. Pospelov, Dmitrii E. Dashevskii, Anatolii S. Belousov, Valentin I. Borschevskiy, Alexey V. Mishin
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Abstract

G protein-coupled receptors (GPCRs) are transmembrane proteins that participate in many physiological processes and represent major pharmacological targets. Recent advances in structural biology of GPCRs have enabled the development of drugs based on the receptor structure (structure-based drug design, SBDD). SBDD utilizes information about the receptor–ligand complex to search for suitable compounds, thus expanding the chemical space of possible receptor ligands without the need for experimental screening. The review describes the use of structure-based virtual screening (SBVS) for GPCR ligands and approaches for the functional testing of potential drug compounds, as well as discusses recent advances and successful examples in the application of SBDD for the identification of GPCR ligands.

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靶向 G 蛋白偶联受体药物的合理设计:配体搜索与筛选
摘要 G蛋白偶联受体(GPCR)是一种跨膜蛋白,参与许多生理过程,是主要的药理学靶标。GPCR 结构生物学的最新进展使得基于受体结构的药物开发(基于结构的药物设计,SBDD)成为可能。SBDD 利用受体配体复合物的信息来寻找合适的化合物,从而扩大了可能的受体配体的化学空间,而无需进行实验筛选。这篇综述介绍了基于结构的虚拟筛选(SBVS)在 GPCR 配体中的应用以及潜在药物化合物的功能测试方法,并讨论了应用 SBDD 鉴定 GPCR 配体的最新进展和成功案例。
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来源期刊
Biochemistry (Moscow)
Biochemistry (Moscow) 生物-生化与分子生物学
CiteScore
4.70
自引率
3.60%
发文量
139
审稿时长
2 months
期刊介绍: Biochemistry (Moscow) is the journal that includes research papers in all fields of biochemistry as well as biochemical aspects of molecular biology, bioorganic chemistry, microbiology, immunology, physiology, and biomedical sciences. Coverage also extends to new experimental methods in biochemistry, theoretical contributions of biochemical importance, reviews of contemporary biochemical topics, and mini-reviews (News in Biochemistry).
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