VIRTUAL SCREENING OF STILBENE ANALOGUE AND INSILICO, IN VITRO ANTIPROTOZOAL EVALUATION OF LEAD MOLECULES
作者: G. LalasaS. VijayarajK. ThamizhvananK. Chaithanyaveena
作者单位: 1Department of Pharmaceutical Analysis, Sree Vidyanikethan College of Pharmacy, Sri Sainath Nagar, Chandragiri (Mandal), Tirupati ,Chittoor (Dist), A. P.. lalasa.sudha@gmail.com
刊名: International Journal of Current Pharmaceutical Research, 2017, Vol.9 (5), pp.97-99
来源数据库: Innovare Academics Sciences PVT.Ltd.
DOI: 10.22159/ijcpr.2017v9i5.12184
原始语种摘要: Objective: The objective of present study is the virtual screening of stilbene analogues followed by the in silico and in vitro evaluation for its anti protozoal activity.Methods: The method of virtual screening selected is the structure-based virtual screening using ChEMBL database. The in silico analysis was performed using auto dock tools 4.2. The docking was performed using 1T5F (Arginase I-OH complex) as the binding proteins which are drawn from the protein data bank.Results: The stilbene analogues from virtual screening are allowed to dock with the proteins the binding energies and docking positions were determined using auto dock tools 4.2. The in vitro evaluation of anti protozoal activity was performed.Conclusion: The stilbene analogues are capable of producing the antiprotozoal...
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关键词翻译
关键词翻译
  • protozoal 原虫的
  • screening 筛分
  • stilbene 芪均二苯代乙烯
  • virtual 虚的
  • binding 装订
  • docking 靠泊
  • activity 活度
  • database 资料库
  • tools 工具
  • protein 蛋白质