Cargando…
H-RACS: a handy tool to rank anti-cancer synergistic drugs
Though promising, identifying synergistic combinations from a large pool of candidate drugs remains challenging for cancer treatment. Due to unclear mechanism and limited confirmed cases, only a few computational algorithms are able to predict drug synergy. Yet they normally require the drug-cell tr...
Autores principales: | , , , , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Impact Journals
2020
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7695372/ https://www.ncbi.nlm.nih.gov/pubmed/33173014 http://dx.doi.org/10.18632/aging.103925 |
_version_ | 1783615173385256960 |
---|---|
author | Yan, Xinmiao Yang, Yiyan Chen, Zikun Yin, Zuojing Deng, Zeliang Qiu, Tianyi Tang, Kailin Cao, Zhiwei |
author_facet | Yan, Xinmiao Yang, Yiyan Chen, Zikun Yin, Zuojing Deng, Zeliang Qiu, Tianyi Tang, Kailin Cao, Zhiwei |
author_sort | Yan, Xinmiao |
collection | PubMed |
description | Though promising, identifying synergistic combinations from a large pool of candidate drugs remains challenging for cancer treatment. Due to unclear mechanism and limited confirmed cases, only a few computational algorithms are able to predict drug synergy. Yet they normally require the drug-cell treatment results as an essential input, thus exclude the possibility to pre-screen those unexplored drugs without cell treatment profiling. Based on the largest dataset of 33,574 combinational scenarios, we proposed a handy webserver, H-RACS, to overcome the above problems. Being loaded with chemical structures and target information, H-RACS can recommend potential synergistic pairs between candidate drugs on 928 cell lines of 24 prevalent cancer types. A high model performance was achieved with AUC of 0.89 on independent combinational scenarios. On the second independent validation of DREAM dataset, H-RACS obtained precision of 67% among its top 5% ranking list. When being tested on new combinations and new cell lines, H-RACS showed strong extendibility with AUC of 0.84 and 0.81 respectively. As the first online server freely accessible at http://www.badd-cao.net/h-racs, H-RACS may promote the pre-screening of synergistic combinations for new chemical drugs on unexplored cancers. |
format | Online Article Text |
id | pubmed-7695372 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | Impact Journals |
record_format | MEDLINE/PubMed |
spelling | pubmed-76953722020-12-04 H-RACS: a handy tool to rank anti-cancer synergistic drugs Yan, Xinmiao Yang, Yiyan Chen, Zikun Yin, Zuojing Deng, Zeliang Qiu, Tianyi Tang, Kailin Cao, Zhiwei Aging (Albany NY) Research Paper Though promising, identifying synergistic combinations from a large pool of candidate drugs remains challenging for cancer treatment. Due to unclear mechanism and limited confirmed cases, only a few computational algorithms are able to predict drug synergy. Yet they normally require the drug-cell treatment results as an essential input, thus exclude the possibility to pre-screen those unexplored drugs without cell treatment profiling. Based on the largest dataset of 33,574 combinational scenarios, we proposed a handy webserver, H-RACS, to overcome the above problems. Being loaded with chemical structures and target information, H-RACS can recommend potential synergistic pairs between candidate drugs on 928 cell lines of 24 prevalent cancer types. A high model performance was achieved with AUC of 0.89 on independent combinational scenarios. On the second independent validation of DREAM dataset, H-RACS obtained precision of 67% among its top 5% ranking list. When being tested on new combinations and new cell lines, H-RACS showed strong extendibility with AUC of 0.84 and 0.81 respectively. As the first online server freely accessible at http://www.badd-cao.net/h-racs, H-RACS may promote the pre-screening of synergistic combinations for new chemical drugs on unexplored cancers. Impact Journals 2020-11-10 /pmc/articles/PMC7695372/ /pubmed/33173014 http://dx.doi.org/10.18632/aging.103925 Text en Copyright: © 2020 Yan et al. https://creativecommons.org/licenses/by/3.0/ This is an open access article distributed under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/3.0/) (CC BY 3.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. |
spellingShingle | Research Paper Yan, Xinmiao Yang, Yiyan Chen, Zikun Yin, Zuojing Deng, Zeliang Qiu, Tianyi Tang, Kailin Cao, Zhiwei H-RACS: a handy tool to rank anti-cancer synergistic drugs |
title | H-RACS: a handy tool to rank anti-cancer synergistic drugs |
title_full | H-RACS: a handy tool to rank anti-cancer synergistic drugs |
title_fullStr | H-RACS: a handy tool to rank anti-cancer synergistic drugs |
title_full_unstemmed | H-RACS: a handy tool to rank anti-cancer synergistic drugs |
title_short | H-RACS: a handy tool to rank anti-cancer synergistic drugs |
title_sort | h-racs: a handy tool to rank anti-cancer synergistic drugs |
topic | Research Paper |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7695372/ https://www.ncbi.nlm.nih.gov/pubmed/33173014 http://dx.doi.org/10.18632/aging.103925 |
work_keys_str_mv | AT yanxinmiao hracsahandytooltorankanticancersynergisticdrugs AT yangyiyan hracsahandytooltorankanticancersynergisticdrugs AT chenzikun hracsahandytooltorankanticancersynergisticdrugs AT yinzuojing hracsahandytooltorankanticancersynergisticdrugs AT dengzeliang hracsahandytooltorankanticancersynergisticdrugs AT qiutianyi hracsahandytooltorankanticancersynergisticdrugs AT tangkailin hracsahandytooltorankanticancersynergisticdrugs AT caozhiwei hracsahandytooltorankanticancersynergisticdrugs |