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New halo-enaminones as potential CNS drugs: Synthesis, characterization, DFT, NLO, molecular docking, and ADMET analysis

2024/05/30 by L. C. Nimbus, L C Nimbus, Santhakumar Yeswanth Kumar +5 · 9 citations
Chemistry · #Biochemistry #Chemical synthesis and pharmacological studies #Chemistry #Computational chemistry #Density functional theory #Hydrogen bond #In vitro #Lead compound #Methylene #Molecular dynamics #Molecular model #Molecule #Natural bond orbital #Organic chemistry #Protein Data Bank (RCSB PDB) #Stereochemistry #Synthesis and Characterization of Pyrroles #Synthesis and biological activity #Time-dependent density functional theory

paper · doi:10.1016/j.molstruc.2024.138756

published in Journal of Molecular Structure 1314, 138756 (Elsevier BV)

openalex publication_date 2024/05/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Citations