本实验通过计算机技术与实验操作相结合的方法，筛选白色念珠菌中Vps4蛋白的抑制剂。利用计算机虚拟筛选的方法，于specs公司分子库中，筛选出白色念珠菌Vps4蛋白潜在的抑制剂，为开发研制抗真菌药物提供理论依据。本实验采用Autodock4，GOLD,X-Score多种打分软件相结合的方法，对Vps4蛋白质的三维结构文件与小分子的结构文件进行虚拟对接和打分，最终获得了20个打分结果较好，能够被选作进行下游实验室实验分析的小分子。虚拟筛选技术缩短了筛选的时间，降低了实验成本，同时多种打分软件结合运用，保证了实验的相对准确。实验操作部分通过探究，得出了增大诱导前细胞浓度，能解决诱导后细胞浓度明显减少的问题。这些工作都为研发抗白色念珠菌药物奠定了理论基础。

This experiment is combing virtual screening and experimental operation. Firstly, in order to increase the accuracy rate, I use 3 kinds of scoring software, such as Autodock4, GOLD, X-Score, to find the inhibitor of Vps4 protein in Candida albicans. And I find 20 small molecules from Specs company’s molecule bank, which have high level of score. Virtual screening technology can shorten our time to find the possible inhibitor of protein and save money. What’s more, through study, I find the way to solve the problem that cell concentration will decreased significantly after inducing. We should extend the incubation time before inducing expression. All of work I have done is contributed to developing the anti Candida albicans drug.