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
{"title":"靶向 G 蛋白偶联受体药物的合理设计:配体搜索与筛选","authors":"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","doi":"10.1134/S0006297924050158","DOIUrl":null,"url":null,"abstract":"<p>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.</p>","PeriodicalId":483,"journal":{"name":"Biochemistry (Moscow)","volume":"89 5","pages":"958 - 972"},"PeriodicalIF":2.3000,"publicationDate":"2024-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Rational Design of Drugs Targeting G-Protein-Coupled Receptors: Ligand Search and Screening\",\"authors\":\"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\",\"doi\":\"10.1134/S0006297924050158\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>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.</p>\",\"PeriodicalId\":483,\"journal\":{\"name\":\"Biochemistry (Moscow)\",\"volume\":\"89 5\",\"pages\":\"958 - 972\"},\"PeriodicalIF\":2.3000,\"publicationDate\":\"2024-05-31\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Biochemistry (Moscow)\",\"FirstCategoryId\":\"99\",\"ListUrlMain\":\"https://link.springer.com/article/10.1134/S0006297924050158\",\"RegionNum\":4,\"RegionCategory\":\"生物学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"BIOCHEMISTRY & MOLECULAR BIOLOGY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Biochemistry (Moscow)","FirstCategoryId":"99","ListUrlMain":"https://link.springer.com/article/10.1134/S0006297924050158","RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"BIOCHEMISTRY & MOLECULAR BIOLOGY","Score":null,"Total":0}
Rational Design of Drugs Targeting G-Protein-Coupled Receptors: Ligand Search and Screening
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.
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).