{"title":"Drug Repurposing for COVID 19","authors":"Fahmida Minna, Maya Mohan","doi":"10.1007/s40995-024-01763-0","DOIUrl":null,"url":null,"abstract":"<div><p>Drug discovery is a distinctive method of testing a drug before medical use, which is a vital step before drug development. Targets are proteins in the human cells. The drug compounds interact with the target, which helps to cure diseases of human beings. One of the most important areas of research in the field of drugs discovery is drug–target interaction (Öztürk et al. in Bioinformatics 34(17):i821–i829, 2018). It identifies interactions between proteins and targets in the human body and the chemical compounds in drugs. Several resources were wasted in terms of the cost and the time spent on research laboratory experiments to find the drug discovery. It is essential for drug discovery to make accurate predictions of drug–target interactions (DTI). A recent study found that deep learning (DL) models perform well at predicting DTI. Here now introduce Deep Purpose, an extensive and user-friendly DL library for DTI prediction. Drug repurposing is a technique for expanding or improving the use of a current drug or creating new uses for current drugs. In this case, gave pre-existing medications for the SARS CoV2 3CL protease repurposing method. The results were the ratings for each drug’s binding affinity to the SARS CoV2 3CL protease inhibitor. Building a machine learning regression model using the SARS CoV2 3CL protease inhibitor’s ChEMBL bioactivity data is also possible. It is to discover a drug’s bioactivity information for its possible effectiveness against a virus.</p></div>","PeriodicalId":600,"journal":{"name":"Iranian Journal of Science and Technology, Transactions A: Science","volume":"49 2","pages":"319 - 330"},"PeriodicalIF":1.4000,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Iranian Journal of Science and Technology, Transactions A: Science","FirstCategoryId":"4","ListUrlMain":"https://link.springer.com/article/10.1007/s40995-024-01763-0","RegionNum":4,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MULTIDISCIPLINARY SCIENCES","Score":null,"Total":0}
引用次数: 0
Abstract
Drug discovery is a distinctive method of testing a drug before medical use, which is a vital step before drug development. Targets are proteins in the human cells. The drug compounds interact with the target, which helps to cure diseases of human beings. One of the most important areas of research in the field of drugs discovery is drug–target interaction (Öztürk et al. in Bioinformatics 34(17):i821–i829, 2018). It identifies interactions between proteins and targets in the human body and the chemical compounds in drugs. Several resources were wasted in terms of the cost and the time spent on research laboratory experiments to find the drug discovery. It is essential for drug discovery to make accurate predictions of drug–target interactions (DTI). A recent study found that deep learning (DL) models perform well at predicting DTI. Here now introduce Deep Purpose, an extensive and user-friendly DL library for DTI prediction. Drug repurposing is a technique for expanding or improving the use of a current drug or creating new uses for current drugs. In this case, gave pre-existing medications for the SARS CoV2 3CL protease repurposing method. The results were the ratings for each drug’s binding affinity to the SARS CoV2 3CL protease inhibitor. Building a machine learning regression model using the SARS CoV2 3CL protease inhibitor’s ChEMBL bioactivity data is also possible. It is to discover a drug’s bioactivity information for its possible effectiveness against a virus.
期刊介绍:
The aim of this journal is to foster the growth of scientific research among Iranian scientists and to provide a medium which brings the fruits of their research to the attention of the world’s scientific community. The journal publishes original research findings – which may be theoretical, experimental or both - reviews, techniques, and comments spanning all subjects in the field of basic sciences, including Physics, Chemistry, Mathematics, Statistics, Biology and Earth Sciences