Structure-based pharmacophore modeling, virtual screening, and molecular dynamics simulation studies for identification of plasmodium falciparum 5-aminolevulinate synthase inhibitors

HIGHLIGHTS

• who: Gbolahan O. Oduselu from the Prevention, China Federal University of Rio de Janeiro, Brazil have published the article: Structure-based pharmacophore modeling, virtual screening, and molecular dynamics simulation studies for identification of Plasmodium falciparum 5-aminolevulinate synthase inhibitors, in the Journal: (JOURNAL)
• what: The authors aimed to identify important potential lead compounds which can serve as inhibitors of Pf 5ALAS using pharmacophore modeling, virtual screening, qualitative structural assessment, in silico ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) evaluation and Molecular Dynamics (MD) simulation.
• how: The following databases were explored for the pharmacophore . . .
  

   

  

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