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":"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。","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":"<p><p>Molecular Property Diagnostic Suite (MPDS) was conceived and developed as an open-source disease-specific web portal based on Galaxy. MPDS<sup>COVID-19</sup> 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<sup>COVID-19</sup> effectively employs Galaxy v22.04 features, which are ported on CentOS 7.8 and Python 3.7. MPDS<sup>COVID-19</sup> 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<sup>COVID-19</sup> 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.</p><p><strong>Availability & implementation: </strong>The MPDS<sup>COVID-19</sup> portal can be accessed at https://mpds.neist.res.in:8085/.</p>","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":"{\"title\":\"Molecular Property Diagnostic Suite for COVID-19 (MPDS<sup>COVID-19</sup>): 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\":\"<p><p>Molecular Property Diagnostic Suite (MPDS) was conceived and developed as an open-source disease-specific web portal based on Galaxy. MPDS<sup>COVID-19</sup> 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<sup>COVID-19</sup> effectively employs Galaxy v22.04 features, which are ported on CentOS 7.8 and Python 3.7. MPDS<sup>COVID-19</sup> 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<sup>COVID-19</sup> 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.</p><p><strong>Availability & implementation: </strong>The MPDS<sup>COVID-19</sup> portal can be accessed at https://mpds.neist.res.in:8085/.</p>\",\"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}","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}
Molecular Property Diagnostic Suite for COVID-19 (MPDSCOVID-19): an open-source disease-specific drug discovery portal.
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/.