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Molecular docking and dynamics study to explore phytochemical ligand molecules against the main protease of SARS-CoV-2 from extensive phytochemical datasets.

Shafi MahmudMohasana Akter MitaSuvro BiswasGobindo Kumar PaulMaria Meha PromiShamima AfroseRobiul HasanSharmin Sultana ShimuShahriar ZamanSalah UddinTrina Ekawati TalleiTalhah Bin EmranAbu Saleh
Published in: Expert review of clinical pharmacology (2021)
Our combinatorial drug design approaches may help researchers to identify suitable drug candidates against SARS-CoV-2.
Keyphrases
  • sars cov
  • molecular docking
  • respiratory syndrome coronavirus
  • molecular dynamics simulations
  • adverse drug
  • emergency department
  • rna seq