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Drug repurposing strategies for COVID-19 针对COVID-19的药物再利用策略
Future drug discovery Pub Date : 2020-03-01 DOI: 10.4155/fdd-2020-0010
Suranga L Senanayake
{"title":"Drug repurposing strategies for COVID-19","authors":"Suranga L Senanayake","doi":"10.4155/fdd-2020-0010","DOIUrl":"https://doi.org/10.4155/fdd-2020-0010","url":null,"abstract":"COVID-19 has now been declared a pandemic and new treatments are urgently needed as we enter a phase beyond containment. Developing new drugs from scratch is a lengthy process, thus impractical to face the immediate global challenge. Drug repurposing is an emerging strategy where existing medicines, having already been tested safe in humans, are redeployed to combat difficult-to-treat diseases. While using such repurposed drugs individually may ultimately not yield a significant clinical benefit, carefully combined cocktails could be very effective, as was for HIV in the 1990s; the urgent question now being which combination.","PeriodicalId":73122,"journal":{"name":"Future drug discovery","volume":"0 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2020-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.4155/fdd-2020-0010","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46621985","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 114
How polypharmacologic is each chemogenomics library? 每个化学基因组文库的药理成分有多丰富?
Future drug discovery Pub Date : 2020-02-05 DOI: 10.4155/fdd-2019-0032
Eric Ni, Eehjoe Kwon, Lauren M Young, Klara Felsovalyi, Jennifer Fuller, Timothy Cardozo
{"title":"How polypharmacologic is each chemogenomics library?","authors":"Eric Ni,&nbsp;Eehjoe Kwon,&nbsp;Lauren M Young,&nbsp;Klara Felsovalyi,&nbsp;Jennifer Fuller,&nbsp;Timothy Cardozo","doi":"10.4155/fdd-2019-0032","DOIUrl":"https://doi.org/10.4155/fdd-2019-0032","url":null,"abstract":"<p><strong>Aim: </strong>High-throughput phenotypic screens have emerged as a promising avenue for small-molecule drug discovery. The challenge faced in high-throughput phenotypic screens is target deconvolution once a small molecule hit is identified. Chemogenomics libraries have emerged as an important tool for meeting this challenge. Here, we investigate their target-specificity by deriving a 'polypharmacology index' for broad chemogenomics screening libraries.</p><p><strong>Methods: </strong>All known targets of all the compounds in each library were plotted as a histogram and fitted to a Boltzmann distribution, whose linearized slope is indicative of the overall polypharmacology of the library.</p><p><strong>Results & conclusion: </strong>Comparison of libraries clearly distinguished the most target-specific library, which might be assumed to be more useful for target deconvolution in a phenotypic screen.</p>","PeriodicalId":73122,"journal":{"name":"Future drug discovery","volume":"2 1","pages":"FDD26"},"PeriodicalIF":0.0,"publicationDate":"2020-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.4155/fdd-2019-0032","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"37717276","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 3
Now the future, we see our dreams: artificial intelligence in drug discovery 现在，在未来，我们看到了我们的梦想：药物发现中的人工智能
Future drug discovery Pub Date : 2019-10-21 DOI: 10.4155/fdd-2019-0027
Rae Lawrence
{"title":"Now the future, we see our dreams: artificial intelligence in drug discovery","authors":"Rae Lawrence","doi":"10.4155/fdd-2019-0027","DOIUrl":"https://doi.org/10.4155/fdd-2019-0027","url":null,"abstract":"","PeriodicalId":73122,"journal":{"name":"Future drug discovery","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.4155/fdd-2019-0027","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45676702","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Artificial intelligence's essential role in the process of drug discovery 人工智能在药物发现过程中的重要作用
Future drug discovery Pub Date : 2019-10-15 DOI: 10.4155/fdd-2019-0026
Edmon Begoli, D. Kusnezov
{"title":"Artificial intelligence's essential role in the process of drug discovery","authors":"Edmon Begoli, D. Kusnezov","doi":"10.4155/fdd-2019-0026","DOIUrl":"https://doi.org/10.4155/fdd-2019-0026","url":null,"abstract":"","PeriodicalId":73122,"journal":{"name":"Future drug discovery","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.4155/fdd-2019-0026","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45233839","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 3
Calcitonin gene-related peptide: the new era of migraine therapy 降钙素基因相关肽：偏头痛治疗的新时代
Future drug discovery Pub Date : 2019-10-11 DOI: 10.4155/fdd-2019-0018
Amanda Macone, S. Tepper
{"title":"Calcitonin gene-related peptide: the new era of migraine therapy","authors":"Amanda Macone, S. Tepper","doi":"10.4155/fdd-2019-0018","DOIUrl":"https://doi.org/10.4155/fdd-2019-0018","url":null,"abstract":"","PeriodicalId":73122,"journal":{"name":"Future drug discovery","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.4155/fdd-2019-0018","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49174784","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Compound optimization monitor (COMO) method for computational evaluation of progress in medicinal chemistry projects 药物化学项目进度计算评价的化合物优化监测(COMO)方法
Future drug discovery Pub Date : 2019-10-11 DOI: 10.4155/fdd-2019-0016
Dimitar Yonchev, Martin Vogt, J. Bajorath
{"title":"Compound optimization monitor (COMO) method for computational evaluation of progress in medicinal chemistry projects","authors":"Dimitar Yonchev, Martin Vogt, J. Bajorath","doi":"10.4155/fdd-2019-0016","DOIUrl":"https://doi.org/10.4155/fdd-2019-0016","url":null,"abstract":"Aim: Development of a new, practically applicable computational method to monitor progress in lead optimization. Computational approaches that aid in compound optimization are discussed and the Compound Optimization Monitor (COMO) method is introduced and put into scientific context. Methodology & calculations: The methodological concept and the COMO scoring scheme are described in detail. Results & discussions: Calculation parameters are evaluated, and profiling results reported for an ensemble of analog series. Future perspective: The dual role of virtual analogs as diagnostic tools for progress evaluation and as potential candidates for lead optimization is discussed. In light of this dual role, interfacing COMO with machine learning for compound activity prediction and prioritization of candidates is highlighted as a future research objective.","PeriodicalId":73122,"journal":{"name":"Future drug discovery","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.4155/fdd-2019-0016","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44328440","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 5
Practical considerations for the implementation of adaptive designs for oncology Phase I dose-finding trials. 实施肿瘤I期剂量发现试验的适应性设计的实际考虑。
Future drug discovery Pub Date : 2019-10-11 DOI: 10.4155/fdd-2019-0021
Lai Wei, Xueliang Pan, Soledad Fernandez
{"title":"Practical considerations for the implementation of adaptive designs for oncology Phase I dose-finding trials.","authors":"Lai Wei,&nbsp;Xueliang Pan,&nbsp;Soledad Fernandez","doi":"10.4155/fdd-2019-0021","DOIUrl":"https://doi.org/10.4155/fdd-2019-0021","url":null,"abstract":"<p><p>The traditional 3 + 3 design continues to be commonly used for Phase I dose-finding oncology trials, despite increasing criticisms and development of innovative methods. Unfortunately, it is a challenge to convince principal investigators to use novel designs. The goal of this paper is to persuade researchers to break away from 3 + 3 design and provide potential solutions to better designs and implementation strategy. We reviewed the statistical methods for adaptive Phase I designs. The barriers among all the major components of the implementation team have been emphasized and potential solutions have been discussed. Institutional support to the principal investigators and statistician, as well as to other team members is essential to design and implement adaptive trials in academic medical institutions.</p>","PeriodicalId":73122,"journal":{"name":"Future drug discovery","volume":"1 2","pages":"FDD18"},"PeriodicalIF":0.0,"publicationDate":"2019-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.4155/fdd-2019-0021","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"10150756","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
A new platform for drug discovery 一个药物发现的新平台
Future drug discovery Pub Date : 2019-10-07 DOI: 10.4155/fdd-2019-0030
T. Knowles
{"title":"A new platform for drug discovery","authors":"T. Knowles","doi":"10.4155/fdd-2019-0030","DOIUrl":"https://doi.org/10.4155/fdd-2019-0030","url":null,"abstract":"Professor Tuomas Knowles gained his PhD in biophysics from the University of Cambridge (UK) in 2007 and went on to work at Harvard University (MA, USA) before returning to Cambridge as a lecturer, gaining professorship in 2015. He is the founder and Chief Scientific Officer of Fluidic Analytics (Cambridge, UK), a biotech company developing next-generation protein analysis platforms that operate under native conditions in solution. Here he speaks to Future Drug Discovery Editor Jennifer Straiton about Fluidic Analytics' new platform Fluidity One-W, discussing how it works and what benefit it can bring to the field of drug discovery.","PeriodicalId":73122,"journal":{"name":"Future drug discovery","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.4155/fdd-2019-0030","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47326695","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Artificial intelligence in drug discovery: what is new, and what is next? 药物发现中的人工智能:什么是新的，下一步是什么?
Future drug discovery Pub Date : 2019-10-01 DOI: 10.4155/fdd-2019-0025
F. Lake
{"title":"Artificial intelligence in drug discovery: what is new, and what is next?","authors":"F. Lake","doi":"10.4155/fdd-2019-0025","DOIUrl":"https://doi.org/10.4155/fdd-2019-0025","url":null,"abstract":"","PeriodicalId":73122,"journal":{"name":"Future drug discovery","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.4155/fdd-2019-0025","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42839397","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 11
Targeting peripheral ϰ-opioid receptors for the non-addictive treatment of pain. 针对外周ϰ-opioid受体的非成瘾性疼痛治疗。
Future drug discovery Pub Date : 2019-09-02 DOI: 10.4155/fdd-2019-0022
T. Beck, T. Dix
{"title":"Targeting peripheral ϰ-opioid receptors for the non-addictive treatment of pain.","authors":"T. Beck, T. Dix","doi":"10.4155/fdd-2019-0022","DOIUrl":"https://doi.org/10.4155/fdd-2019-0022","url":null,"abstract":"Drug addiction to prescription mu-opioid agonists used in the setting of pain is a major public health threat, affecting millions of Americans. Kappa opioid agonists (KOAs) may serve as a possible solution. KOAs have demonstrated indistinguishable analgesic activity relative to mu-opioid agonists in models of acute and chronic pain; however, conventional KOAs suffer from central nervous system-mediated psychoactive side-effects. In this review, we discuss our efforts, as well as other's efforts, in developing peripherally-restricted kappa opioid agonists with retained or improved efficacy in rodent models of pain. Results indicate that our lead compound JT09 acts as efficacious as morphine in alleviating peripheral pain, while failing to produce undesired central nervous system-mediated side-effects. In this review, we discuss our former results and future directions.","PeriodicalId":73122,"journal":{"name":"Future drug discovery","volume":"1 2 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.4155/fdd-2019-0022","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48579752","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 9
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