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DaiCee: A database for anti-cancer compounds with targets and side effect profiles
Identification of the toxicity of compounds is more crucial before entering clinical trials. Awareness of physiochemical properties, possible targets and side effects has become a major public health issue to reduce risks. Experimental determination of analyzing the physiochemical properties of a dr...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Biomedical Informatics
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8573451/ https://www.ncbi.nlm.nih.gov/pubmed/34803258 http://dx.doi.org/10.6026/97320630016843 |
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author | Rajalakshmi, Manikkam Suveena, Sugumaran Vijayalakshmia, Periyasamy Indu, Sabapathy Roy, Anita Ludas, Antony |
author_facet | Rajalakshmi, Manikkam Suveena, Sugumaran Vijayalakshmia, Periyasamy Indu, Sabapathy Roy, Anita Ludas, Antony |
author_sort | Rajalakshmi, Manikkam |
collection | PubMed |
description | Identification of the toxicity of compounds is more crucial before entering clinical trials. Awareness of physiochemical properties, possible targets and side effects has become a major public health issue to reduce risks. Experimental determination of analyzing the physiochemical properties of a drug, their interaction with specific receptors and identifying their side-effects remain challenging is time consuming and costly. We describe a manually compiled database named DaiCee database, which contains 2100 anticancer drugs with information on their physiochemical properties, targets of action and side effects. It includes both synthetic and herbal anti-cancer compounds. It allows the search for SMILES notation, Lipinski's and ADME/T properties, targets and side effect profiles of the drugs. This helps to identify drugs with effective anticancer properties, their toxic nature, drug-likeness for in-vitro and in-vivo experiments. It also used for comparative analysis and screening of effective anticancer drugs using available data for compounds in the database. The database will be updated regularly to provide the users with latest information. The database is available at the URL http://www.hccbif.org/usersearch.php |
format | Online Article Text |
id | pubmed-8573451 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | Biomedical Informatics |
record_format | MEDLINE/PubMed |
spelling | pubmed-85734512021-11-18 DaiCee: A database for anti-cancer compounds with targets and side effect profiles Rajalakshmi, Manikkam Suveena, Sugumaran Vijayalakshmia, Periyasamy Indu, Sabapathy Roy, Anita Ludas, Antony Bioinformation Research Article Identification of the toxicity of compounds is more crucial before entering clinical trials. Awareness of physiochemical properties, possible targets and side effects has become a major public health issue to reduce risks. Experimental determination of analyzing the physiochemical properties of a drug, their interaction with specific receptors and identifying their side-effects remain challenging is time consuming and costly. We describe a manually compiled database named DaiCee database, which contains 2100 anticancer drugs with information on their physiochemical properties, targets of action and side effects. It includes both synthetic and herbal anti-cancer compounds. It allows the search for SMILES notation, Lipinski's and ADME/T properties, targets and side effect profiles of the drugs. This helps to identify drugs with effective anticancer properties, their toxic nature, drug-likeness for in-vitro and in-vivo experiments. It also used for comparative analysis and screening of effective anticancer drugs using available data for compounds in the database. The database will be updated regularly to provide the users with latest information. The database is available at the URL http://www.hccbif.org/usersearch.php Biomedical Informatics 2020-11-30 /pmc/articles/PMC8573451/ /pubmed/34803258 http://dx.doi.org/10.6026/97320630016843 Text en © 2020 Biomedical Informatics https://creativecommons.org/licenses/by/3.0/This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License. |
spellingShingle | Research Article Rajalakshmi, Manikkam Suveena, Sugumaran Vijayalakshmia, Periyasamy Indu, Sabapathy Roy, Anita Ludas, Antony DaiCee: A database for anti-cancer compounds with targets and side effect profiles |
title | DaiCee: A database for anti-cancer compounds with targets and side effect profiles |
title_full | DaiCee: A database for anti-cancer compounds with targets and side effect profiles |
title_fullStr | DaiCee: A database for anti-cancer compounds with targets and side effect profiles |
title_full_unstemmed | DaiCee: A database for anti-cancer compounds with targets and side effect profiles |
title_short | DaiCee: A database for anti-cancer compounds with targets and side effect profiles |
title_sort | daicee: a database for anti-cancer compounds with targets and side effect profiles |
topic | Research Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8573451/ https://www.ncbi.nlm.nih.gov/pubmed/34803258 http://dx.doi.org/10.6026/97320630016843 |
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