ANTHRAQUINONES: A SCAFFOLD HOPE TO NOVEL γ-AMINO BUTYRIC ACID AMINOTRANSFERASE INHIBITORS
作者: Bansal SK Sinha BN Khosa RL
刊名: Journal of Applied Pharmaceutical Sciences and Research, 2018, Vol.1 (2)
来源数据库: KCS Publishers
DOI: 10.31069/japsr.v1i2.13062
关键词: Γ-amino butyric acid aminotransferaseAnthraquinoneAnticonvulsantsVirtual screening.
原始语种摘要: Introduction: γ-amino butyric acid aminotransferase (GABA-AT) is a pyridoxal phosphate (PLP) dependent enzyme that catalyses the degradation of γ-amino butyric acid (GABA). γ-amino butyric acid aminotransferase (GABA-AT) inhibitors are used to treat epilepsy. Objective: The aim of this study was to search anthraquinone scaffolds as novel GABA-AT inhibitors using virtual screening based approach. Materials and Methods: AutoDock Tools® 1.4.6 and MGL Tools® 1.5.4 software were used to find out binding score, inhibition constant and conformational poses of the ligands inside the active site. AutoDock uses interaction maps to generate ensemble of low energy conformations and AMBER force field to estimate the free energy of binding of a ligand to its target. Result and Discussion: Estimated...
全文获取路径: PDF下载  JAPSR 
分享到:

×
关键词翻译
关键词翻译
  • butyric 奶油的
  • GABA 伽马氨基丁酸
  • anthraquinone 蒽醌
  • screening 筛分
  • binding 装订
  • epilepsy 癫痫
  • virtual 虚的
  • amino 氨基
  • pyridoxal 吡哆醛
  • inhibition 抑制