Unlocking the potential of approved drugs for the allosteric inhibition of tropomyosin-receptor kinase A using molecular docking and molecular dynamics studies
Mukhtar, Rua M, Abdelmoniem, Nihal, Elrufaie, Hisham A, Edris, Alaa, Ghaboosh, Hiba, Mahgoub, Mohanad A, Garelnabi, Elrashied A E, Osman, Wadah, Sherif, Asmaa E, Ashour, Ahmed, Ghazawi, Kholoud F, Samman, Waad A, Alhaddad, Aisha A, Bafail, Rawan, Ibrahim, Sabrin R M, Mohamed, Gamal A, Alzain, Abdulrahim A
Published in Frontiers in chemistry (07.06.2023)
Published in Frontiers in chemistry (07.06.2023)
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Discovery of novel potential inhibitors of TMPRSS2 and Mpro of SARS-CoV-2 using E-pharmacophore and docking-based virtual screening combined with molecular dynamic and quantum mechanics
Mahgoub, Mohanad A., Alnaem, Ahmed, Fadlelmola, Mohammed, Abo-idris, Mazin, Makki, Alaa A., Abdelgadir, Abdelgadir A., Alzain, Abdulrahim A.
Published in Journal of biomolecular structure & dynamics (22.09.2023)
Published in Journal of biomolecular structure & dynamics (22.09.2023)
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