Molecular Property Diagnostic Suite for COVID-19 (MPDS^COVID-19): an open-source disease-specific drug discovery portal.

GigaByte (Hong Kong, China) Pub Date : 2024-03-14 eCollection Date: 2024-01-01 DOI:10.46471/gigabyte.114

Lipsa Priyadarsinee, Esther Jamir, Selvaraman Nagamani, Hridoy Jyoti Mahanta, Nandan Kumar, Lijo John, Himakshi Sarma, Asheesh Kumar, Anamika Singh Gaur, Rosaleen Sahoo, S Vaikundamani, N Arul Murugan, U Deva Priyakumar, G P S Raghava, Prasad V Bharatam, Ramakrishnan Parthasarathi, V Subramanian, G Madhavi Sastry, G Narahari Sastry

{"title":"Molecular Property Diagnostic Suite for COVID-19 (MPDSCOVID-19): an open-source disease-specific drug discovery portal.","authors":"Lipsa Priyadarsinee, Esther Jamir, Selvaraman Nagamani, Hridoy Jyoti Mahanta, Nandan Kumar, Lijo John, Himakshi Sarma, Asheesh Kumar, Anamika Singh Gaur, Rosaleen Sahoo, S Vaikundamani, N Arul Murugan, U Deva Priyakumar, G P S Raghava, Prasad V Bharatam, Ramakrishnan Parthasarathi, V Subramanian, G Madhavi Sastry, G Narahari Sastry","doi":"10.46471/gigabyte.114","DOIUrl":null,"url":null,"abstract":"Molecular Property Diagnostic Suite (MPDS) was conceived and developed as an open-source disease-specific web portal based on Galaxy. MPDSCOVID-19 was developed for COVID-19 as a one-stop solution for drug discovery research. Galaxy platforms enable the creation of customized workflows connecting various modules in the web server. The architecture of MPDSCOVID-19 effectively employs Galaxy v22.04 features, which are ported on CentOS 7.8 and Python 3.7. MPDSCOVID-19 provides significant updates and the addition of several new tools updated after six years. Tools developed by our group in Perl/Python and open-source tools are collated and integrated into MPDSCOVID-19 using XML scripts. Our MPDS suite aims to facilitate transparent and open innovation. This approach significantly helps bring inclusiveness in the community while promoting free access and participation in software development.Availability & implementation: The MPDSCOVID-19 portal can be accessed at https://mpds.neist.res.in:8085/.","PeriodicalId":73157,"journal":{"name":"GigaByte (Hong Kong, China)","volume":"2024 ","pages":"gigabyte114"},"PeriodicalIF":0.0000,"publicationDate":"2024-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10958779/pdf/","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"GigaByte (Hong Kong, China)","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.46471/gigabyte.114","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2024/1/1 0:00:00","PubModel":"eCollection","JCR":"","JCRName":"","Score":null,"Total":0}

引用次数: 0

Abstract

Molecular Property Diagnostic Suite (MPDS) was conceived and developed as an open-source disease-specific web portal based on Galaxy. MPDS^COVID-19 was developed for COVID-19 as a one-stop solution for drug discovery research. Galaxy platforms enable the creation of customized workflows connecting various modules in the web server. The architecture of MPDS^COVID-19 effectively employs Galaxy v22.04 features, which are ported on CentOS 7.8 and Python 3.7. MPDS^COVID-19 provides significant updates and the addition of several new tools updated after six years. Tools developed by our group in Perl/Python and open-source tools are collated and integrated into MPDS^COVID-19 using XML scripts. Our MPDS suite aims to facilitate transparent and open innovation. This approach significantly helps bring inclusiveness in the community while promoting free access and participation in software development.

Availability & implementation: The MPDS^COVID-19 portal can be accessed at https://mpds.neist.res.in:8085/.

查看原文本刊更多论文

用于 COVID-19 的分子特性诊断套件（MPDSCOVID-19）：一个开源的疾病特异性药物发现门户网站。

Molecular Property Diagnostic Suite (MPDS) 是基于 Galaxy 构想和开发的一个开源疾病特定门户网站。MPDSCOVID-19 是为 COVID-19 开发的药物发现研究一站式解决方案。通过 Galaxy 平台，可以创建连接网络服务器中各种模块的定制工作流程。MPDSCOVID-19 的架构有效利用了 Galaxy v22.04 的功能，并在 CentOS 7.8 和 Python 3.7 上进行了移植。MPDSCOVID-19 在六年后进行了重大更新，并增加了几个新工具。我们小组用 Perl/Python 开发的工具和开源工具经过整理，使用 XML 脚本集成到了 MPDSCOVID-19 中。我们的 MPDS 套件旨在促进透明、开放的创新。这种方法大大有助于提高社区的包容性，同时促进自由访问和参与软件开发：MPDSCOVID-19 门户网站的访问网址为 https://mpds.neist.res.in:8085/。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊