N'-isonicotinoylpicolinohydrazonamide: Synthesis, crystal structure, DFT and ADMET studies, and in silico inhibition properties toward a series of COVID-19 proteins
Isabel García‐Santos, A. Castiñeiras, Bagher Eftekhari‐Sis, Ghodrat Mahmoudi, Damir A. Safin
Topics & Concepts
ChemistryCrystallographyHydrogen bondCrystal structureElectrophileDocking (animal)MoleculeSingle crystalStereochemistryOrganic chemistryMedicineNursingCatalysisSynthesis and biological activityCrystallography and molecular interactionsComputational Drug Discovery Methods