药物通过与一种或多种参与疾病发生的治疗靶点相互作用，达到治疗效果。在与治疗靶点相互作用的同时，也会与某些非治疗靶点作用，药物或其活性代谢产物与非治疗靶点相互作用会直接或间接地诱发不良反应。鉴定和预测这些非治疗靶点，或称药物不良反应相关蛋白(ADRAPs)可以应用于药物研发初级阶段的毒性评估部分。 本论文以镇痛药物Oxycodone，Fentanyl，Morphine，Acetaminophen，Rofecoxib和复合药物Acetaminophen-Hydrocodone为实验材料。利用基于分子反向对接的药物靶标搜索算法INVDOCK，计算机辅助搜索药物潜在靶点，结合文献记载的ADRAPs信...Drugs realize their therapeutic effects via interaction with certain target(s) in disease-associated physiological pathways, at the meanwhile, induce adverse drug reactions when binding to some off-target proteins. Identification these off-target proteins, or namely ADR-associated proteins (ADRAPs), can be potentially applied in facilitating toxicity assessment in early stage of drug development. ...学位：理学硕士院系专业：生命科学学院生物学系_生物化学与分子生物学学号：2172009115206
