Computational details of molecular structure, spectroscopic properties, topological studies and SARS-Cov-2 enzyme molecular docking simulation of substituted triazolo pyrimidine thione heterocycles
Doaa S. El Sayed, El-Sayed M. Abdelrehim
2021Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy34 citationsDOIOpen Access PDF
Topics & Concepts
ChemistryPyrimidineDocking (animal)Hydrogen bondHOMO/LUMOSubstituentStereochemistryNucleophileMolecular dynamicsComputational chemistryMoleculeCrystallographyOrganic chemistryMedicineNursingCatalysisSynthesis and Characterization of Heterocyclic CompoundsSynthesis and biological activityPhenothiazines and Benzothiazines Synthesis and Activities