Structure and surface analyses of a newly synthesized acyl thiourea derivative along with its <i>in silico</i> and <i>in vitro</i> investigations for RNR, DNA binding, urease inhibition and radical scavenging activities
Aqsa Khalid, Nasima Arshad, Pervaiz Ali Channar, Aamer Saeed, Aamer Saeed, Muhammad Ismail Mir, Qamar Abbas, Syeda Abida Ejaz, Tuncer Hökelek, Amna Saeed, Amna Saeed, Arfa Tehzeeb
Abstract
value of 0.0389 ± 0.0017 μM. However, the radical scavenging efficiency of (4) was found to be modest in comparison to vitamin C.
Topics & Concepts
ChemistryHydrogen bondCrystallographyDihedral anglevan der Waals forceIntramolecular forceCrystal structureDensity functional theoryIntermolecular forceStereochemistryMoleculeComputational chemistryOrganic chemistrySynthesis and biological activitySynthesis and Characterization of Heterocyclic CompoundsCrystal structures of chemical compounds