Rajalakshmi Manikkam, Suveena Sugumaran, Vijayalakshmia Periyasamy, Indu Sabapathy, Roy Anita, Ludas Antony
DBT-BIF Centre, PG & Research Department of Biotechnology & Bioinformatics, Holy Cross College (Autonomous) (Affiliated to Bharathidasan University), Trichy, Tamilnadu, India.
Bioinformation. 2020 Nov 30;16(11):843-848. doi: 10.6026/97320630016843. eCollection 2020.
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.
在进入临床试验之前，确定化合物的毒性更为关键。了解其物理化学性质、可能的靶点和副作用已成为降低风险的一个重大公共卫生问题。通过实验测定药物的物理化学性质、它们与特定受体的相互作用以及识别其副作用仍然具有挑战性，既耗时又昂贵。我们描述了一个名为DaiCee数据库的人工编纂数据库，其中包含2100种抗癌药物，这些药物具有其物理化学性质、作用靶点和副作用的相关信息。它包括合成和草药抗癌化合物。它允许搜索药物结构的SMILES符号、类药五原则和药物代谢及药物动力学性质、靶点和副作用概况。这有助于识别具有有效抗癌特性的药物、它们的毒性性质、用于体外和体内实验的类药性质。它还用于利用数据库中化合物的现有数据对有效抗癌药物进行比较分析和筛选。该数据库将定期更新，以便为用户提供最新信息。该数据库可通过网址http://www.hccbif.org/usersearch.php获取。
