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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...

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Autores principales: Rajalakshmi, Manikkam, Suveena, Sugumaran, Vijayalakshmia, Periyasamy, Indu, Sabapathy, Roy, Anita, Ludas, Antony
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2020
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
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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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