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Investigation of [ 3 H]diazepam derivatives as allosteric modulators of GABAA receptor α 1 β 2 γ 2 subtypes: combination of molecular docking/dynamic simulations, pharmacokinetics/drug-likeness prediction, and QSAR analysis.

Rachida DjebailiSamir KenoucheIsmail DaoudNadjib MelkemiAhlem BelkadiFouzia Mesli
Published in: Structural chemistry (2022)
The online version contains supplementary material available at 10.1007/s11224-022-02029-4.
Keyphrases
  • molecular docking
  • small molecule
  • molecular dynamics simulations
  • molecular dynamics
  • social media
  • psychometric properties
  • healthcare
  • health information
  • binding protein