Targeting glutaminase by natural compounds: structure-based virtual screening and molecular dynamics simulation approach to suppress cancer progression

HIGHLIGHTS

  • who: Shams Tabrez and colleagues from the King Fahd Medical Research Center, King Abdulaziz University, Jeddah, Saudi Arabia have published the research work: Targeting Glutaminase by Natural Compounds: Structure-Based Virtual Screening and Molecular Dynamics Simulation Approach to Suppress Cancer Progression, in the Journal: Molecules 2022, 5042 of /2022/
  • what: The authors report 12 potent compounds after screening the TCM database against GLS followed by a drug-likeness filter with Lipinski and Veber rule criteria.

SUMMARY

    GLS activity corresponds with poor clinical prognosis in patients with breast, colorectal, lung, liver, and . . .

     

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