{"title":"XRD 在药物发现中的实用视角和作用:综述","authors":"Ashish Mehta, Rahul Makhija, Pallavi Barik, Shubham Dhiman, Ghanshyam Das Gupta, Vivek Asati","doi":"10.2174/0115734110296435240323113938","DOIUrl":null,"url":null,"abstract":": Biophysical techniques include various methodologies applied in studying biological systems at the molecular and cellular level for the drug discovery process. Various methods like isothermal calorimetry, electron microscopy, XRD (X-ray diffraction), electron microscopy, mass spectrometry, atomic force microscopy, differential scanning calorimetry, surface plasmon resonance, and nuclear magnetic resonance are important techniques for drug discovery. Out of these techniques, XRD is widely employed in structure-based drug discovery, whereas FBDD (fragment-based drug discovery) is widely used in the different phases of drug discovery. XRD was considered one of the most important tools for structure determination of biomolecules and peptides. Consistent development and advancement in XRD improved the various aspects of data processing, collection, sample loading, and increased throughput. This advancement is crucial in obtaining highly resolved protein and other biomolecule crystal structures. The structure obtained from XRD forms the core of structure-based drug discovery and FBDD. This review article focuses on the different roles of biophysical techniques with special emphasis on advancement, data collection, and XRD's role in different drug discovery phases.","PeriodicalId":10742,"journal":{"name":"Current Analytical Chemistry","volume":"48 1","pages":""},"PeriodicalIF":1.7000,"publicationDate":"2024-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Practical Perspectives and Roles of XRD in Drug Discovery: A Review\",\"authors\":\"Ashish Mehta, Rahul Makhija, Pallavi Barik, Shubham Dhiman, Ghanshyam Das Gupta, Vivek Asati\",\"doi\":\"10.2174/0115734110296435240323113938\",\"DOIUrl\":null,\"url\":null,\"abstract\":\": Biophysical techniques include various methodologies applied in studying biological systems at the molecular and cellular level for the drug discovery process. Various methods like isothermal calorimetry, electron microscopy, XRD (X-ray diffraction), electron microscopy, mass spectrometry, atomic force microscopy, differential scanning calorimetry, surface plasmon resonance, and nuclear magnetic resonance are important techniques for drug discovery. Out of these techniques, XRD is widely employed in structure-based drug discovery, whereas FBDD (fragment-based drug discovery) is widely used in the different phases of drug discovery. XRD was considered one of the most important tools for structure determination of biomolecules and peptides. Consistent development and advancement in XRD improved the various aspects of data processing, collection, sample loading, and increased throughput. This advancement is crucial in obtaining highly resolved protein and other biomolecule crystal structures. The structure obtained from XRD forms the core of structure-based drug discovery and FBDD. This review article focuses on the different roles of biophysical techniques with special emphasis on advancement, data collection, and XRD's role in different drug discovery phases.\",\"PeriodicalId\":10742,\"journal\":{\"name\":\"Current Analytical Chemistry\",\"volume\":\"48 1\",\"pages\":\"\"},\"PeriodicalIF\":1.7000,\"publicationDate\":\"2024-04-04\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Current Analytical Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.2174/0115734110296435240323113938\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, ANALYTICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Current Analytical Chemistry","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.2174/0115734110296435240323113938","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, ANALYTICAL","Score":null,"Total":0}
Practical Perspectives and Roles of XRD in Drug Discovery: A Review
: Biophysical techniques include various methodologies applied in studying biological systems at the molecular and cellular level for the drug discovery process. Various methods like isothermal calorimetry, electron microscopy, XRD (X-ray diffraction), electron microscopy, mass spectrometry, atomic force microscopy, differential scanning calorimetry, surface plasmon resonance, and nuclear magnetic resonance are important techniques for drug discovery. Out of these techniques, XRD is widely employed in structure-based drug discovery, whereas FBDD (fragment-based drug discovery) is widely used in the different phases of drug discovery. XRD was considered one of the most important tools for structure determination of biomolecules and peptides. Consistent development and advancement in XRD improved the various aspects of data processing, collection, sample loading, and increased throughput. This advancement is crucial in obtaining highly resolved protein and other biomolecule crystal structures. The structure obtained from XRD forms the core of structure-based drug discovery and FBDD. This review article focuses on the different roles of biophysical techniques with special emphasis on advancement, data collection, and XRD's role in different drug discovery phases.
期刊介绍:
Current Analytical Chemistry publishes full-length/mini reviews and original research articles on the most recent advances in analytical chemistry. All aspects of the field are represented, including analytical methodology, techniques, and instrumentation in both fundamental and applied research topics of interest to the broad readership of the journal. Current Analytical Chemistry strives to serve as an authoritative source of information in analytical chemistry and in related applications such as biochemical analysis, pharmaceutical research, quantitative biological imaging, novel sensors, and nanotechnology.