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Design, synthesis, conformational and molecular docking study of some novel acyl hydrazone based molecular hybrids as antimalarial and antimicrobial agents.

Parvin KumarKulbir KadyanMeenakshi DuhanJayant SindhuVineeta SinghBaljeet Singh Saharan
Published in: Chemistry Central journal (2017)
In vitro antiplasmodial IC50 value of the most potent compound 5d was found to be 4.40 nM which is even less than all the three reference drugs chloroquine (18.7 nM), pyrimethamine (11 nM) and artimisinin (6 nM). In silico binding study of compound 5d with plasmodial cysteine protease falcipain-2 indicated the inhibition of falcipain-2 as the probable reason for the antimalarial potency of compound 5d. All the compounds had shown good to excellent antimicrobial and antifungal activities.
Keyphrases
  • molecular docking
  • photodynamic therapy
  • molecular dynamics simulations
  • staphylococcus aureus
  • plasmodium falciparum
  • molecular dynamics
  • single molecule
  • living cells
  • dna binding