A Karera, T Musili, L Kalondo
Radiographers' insights on the impact of their potential role in image interpretation within a low resource setting
Radiography (London, England : 1995)
initiator cytokine storm coronavirus disease covid19 still unknown recently suggested complex interaction matrix metalloproteinases mmps fas ligand fasl viral entry factors could responsible cytokine outrage covid19 explored molecular dynamics faslmmp79 covid19 conditions silico provide neuroimmune insights future enrolled analyzed clinical cohort covid19 patients recorded blood na levels temperature admission bloodlike molecular dynamics simulation mds box built four conditions studied mmp7fasl healthy mmp7fasl covid19 mmp9fasl healthy mmp9fasl covid19 mds performed groningen machine chemical simulation gromacs analyzed bonds shortrange energies free binding energies draw conclusions interaction mmp7mmp9 fasl gain insights covid19 immunopathology genevestigator used study rnaseqmicroarray expression data mmps cells immune nervous systems finally epitopes mmpfasl complexes identified drug targets machine learning ml tools mmp7fasl healthy mmp7fasl covid19 mmp9fasl healthy mmp9fasl covid19 systems showed 0 1 4 2 salt bridges indicating mmp9 salt bridges moreover covid19 normal conditions number interacting residues surface area higher mmp9 compared mmp7 group covid19 mmp9fasl group hbonds compared mmp7fasl group 12 vs 7 15 epitopes faslmmp9 10 epitopes faslmmp7 detected extended md simulation 100 ns confirmed stronger binding mmp9 based molecular mechanics generalized borne surface analysis mmgbsa coul leonardjones lj shortrange energies mmp9 interacts stronger mmp7 fasl however molecules maintained strong interaction mds suggested epitopes mmpfasl complexes valuable therapeutic targets covid19 data could utilized future immune drug protein design repurposing efforts