A database for the predicted pharmacophoric features of medicinal compounds
A database for the predicted pharmacophoric features of medicinal compounds
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DOI：
10.6026/97320630006167
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发表时间：
2011-01-01
期刊：
影响因子：
1.9
通讯作者：
Suveena, Sukumaran
中科院分区：
文献类型：
--
作者：
Daisy, Pitchai;Singh, Sanjeev Kumar;Suveena, Sukumaran
药效团特征是指具有类药物分子活性部位的一组化学结构模式。药效团可以用来帮助建立关于药物分子中所需化学性质的假设，因此它可以用于改进和修饰候选药物。预测了150种具有抗癌、抗肿瘤、抗糖尿病、抗微生物、抗氧化等作用的植物源化合物的药效学特征。药效特征的估计对于确保超分子与生物靶标的最佳相互作用以及触发或阻断其生物学反应是必要的。
Pharmacophore feature is defined by a set of chemical structure patterns having the active site of drug like molecule. Pharmacophore can be used to assist in building hypothesis about desirable chemical properties in drug molecule and hence it can be used to refine and modify drug candidates. We predicted the pharmacophoric features of 150 medicinal compounds from plants for anti-cancer, anti-carcinogenic, anti-diabetic, anti-microbial, and anti-oxidant. Estimation of pharmacophoric feature is necessary to ensure the optimal supramolecular interaction with a biological target and to trigger or block its biological response.