Multi-dimensional structural footprint identification for the design of potential scaffolds targeting METTL3 in cancer treatment from natural compounds
Abdul Rashid Issahaku, Samukelisiwe Minenhle Mncube, Clement Agoni, Samuel K. Kwofie, Mohammed Issa Alahmdi, Nader E. Abo‐Dya, Peter A. Sidhom, Ahmed M. Tawfeek, Mahmoud A. A. Ibrahim, Namutula Mukelabai, Opeyemi Soremekun, Mahmoud E. S. Soliman
Topics & Concepts
Virtual screeningDocking (animal)Force field (fiction)Lipinski's rule of fiveChemistryMolecular dynamicsAutoDockComputational chemistryIntermolecular forceHydrogen bondCheminformaticsBinding pocketMoleculeRamachandran plotBinding siteComputer scienceProtein structureBiochemistryOrganic chemistryIn silicoArtificial intelligenceGeneMedicineNursingCancer-related gene regulationRNA modifications and cancerProtein Structure and Dynamics