Synthesis, Biological and In Silico Studies of a Tripodal Schiff Base Derived from 2,4,6-Triamino-1,3,5-triazine and Its Trinuclear Dy(III), Er(III), and Gd(III) Salen Capped Complexes.
Oruma US, Ukoha PO, Uzoewulu CP, Ndefo JC, Ugwuoke SC, Ukwueze NN, Eze TE, Ekowo LC, Eze FU, Chinaegbomkpa UV, Okafor SN, Ezeorah CJ.
Oruma US, et al.
Molecules. 2021 Jul 20;26(14):4379. doi: 10.3390/molecules26144379.
Molecules. 2021.
PMID: 34299654
Free PMC article.
Molecular docking simulation studies on the compounds against SARS-CoV-2 (6Y84) and E. coli DNA gyrase (5MMN) revealed effective binding interactions through multiple bonding modes. The binding energy calculated for Er(III)MT-6Y84 and Er(III)MT-5MMN complexes …
Molecular docking simulation studies on the compounds against SARS-CoV-2 (6Y84) and E. coli DNA gyrase (5MMN) revealed …