Synthesis, structural characterization, DFT calculations, molecular docking, and molecular dynamics simulations of a novel ferrocene derivative to unravel its potential antitumor activity

[1 ]Department of Chemistry, College of Science and Humanities in Al-Kharj, Prince Sattam Bin Abdulaziz University, Al-Kharj, Saudi Arabia

[2 ]Chemistry Department, Faculty of Science, Mansoura University, Mansoura, Egypt

[3 ]Department of Chemistry of Natural and Microbial Products, Pharmaceutical and Drug Industries Research Institute National Research Centre, Dokki, Cairo, Egypt

[4 ]Department of Chemistry, College of Science, Qassim University, Buraydah, Saudi Arabia

[5 ]Laboratory for Organic and Bioorganic Synthesis, Department of Organic and Macromolecular Chemistry, Ghent University, Ghent, Belgium

[6 ]Department of Chemistry, Faculty of Science, University of Benghazi, Benghazi, Libya

[7 ]Department of Chemistry, University of Cape Town, Rondebosch, South Africa

[8 ]Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy (Boys), Al-Azhar University, Nasr City, Cairo, Egypt

[9 ]Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Horus University-Egypt, New Damietta, Egypt