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Chemical Synthesis, Biological Evaluation, and Cheminformatics Analysis of a Group of Chlorinated Diaryl Sulfonamides: Promising Inhibitors of Cholesteryl Ester Transfer Protein.

Reema Abu KhalafAla'a LafiRima HajjoMahmoud A Al-Sha'er
Published in: Current computer-aided drug design (2024)
It was found that a chloro moiety at the ortho-position, or a nitro group at the meta and para-positions, improves the CETP inhibitory activity of synthesized analogs. Computational studies suggest the formation of stable ligand-protein complexes between compounds 6a- 6j and CETP.
Keyphrases
  • protein protein
  • amino acid
  • binding protein
  • molecular docking
  • small molecule
  • polycyclic aromatic hydrocarbons
  • solid phase extraction
  • molecular dynamics simulations