Spectroscopic and molecular docking studies of cu(ii), ni(ii), co(ii), and mn(ii) complexes with anticonvulsant therapeutic agent gabapentin

HIGHLIGHTS

• who: Moamen S. Refat and colleagues from the Department of Chemistry, College of Science, Taif University, POBox, Taif, Saudi Arabia have published the paper: Spectroscopic and Molecular Docking Studies of Cu(II), Ni(II), Co(II), and Mn(II) Complexes with Anticonvulsant Therapeutic Agent Gabapentin, in the Journal: Molecules 2022, 27, x FOR PEER REVIEW of /2022/
• how: The molecular docking outputs were further investigated for receptor-ligand interactions through MDS (molecular dynamic simulation) which used a 100 ns run at 300 K. Structural stability hydrogen_bond interactions SASA compactness of structure and residue flexibility of . . .
  

   

  

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