Journal of Clinical and Cellular Immunology
Open Access

Radiation Biology & Health Sciences Division, Homi Bhabha National Institute, Bhabha Atomic Research Centre, Mumbai, India

Publications

• Research Article   
  In Silico Exploration of Mechanisms Underlying the Synergistic Effects of Ivermectin and Doxycycline in the Treatment of SARS-CoV-2
  Author(s): Dharmendra Kumar Maurya*
  
  Aim: In search of an effective treatment for COVID-19 disease, in Bangladesh, a group of doctors reported surprising success with two commonly used drugs, Ivermectin and Doxycycline. But the mechanism underlying therapeutic action of these drugs remains obscure. The current study explores the possible molecular targets and mechanism of action. Methods: Structure of both Ivermectin and Doxycycline were optimized using universal forcefield as well as by quantum mechanics. Molecular docking and molecular dynamics simulation techniques were employed to explore the possible mechanism of action of these drugs. Effectiveness of Ivermectin and Doxycycline was evaluated against several proteins of SARS-CoV-2 and human ACE2 receptor. Results: It was found that both the drugs have significant binding affinity with SARS-CoV-2 .. View More»
  DOI: 10.35248/2155-9899.24.15.723

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