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Discovery of novel anticancer flavonoids as potential HDAC2 inhibitors: virtual screening approach based on molecular docking, DFT and molecular dynamics simulations studies.

Ashish P ShahAarti ChoudharyManav JainSathiaseelan PerumalVaishali P PatelGhanshyam R ParmarAshish Patel
Published in: 3 Biotech (2024)
The online version contains supplementary material available at 10.1007/s13205-023-03912-5.
Keyphrases
  • molecular docking
  • molecular dynamics simulations
  • small molecule
  • social media
  • health information
  • psychometric properties
  • case control
  • histone deacetylase
  • human health
  • healthcare
  • risk assessment
  • climate change