X-ray characterization, Hirshfeld surface analysis, DFT calculations,<i>in vitro</i>and<i>in silico</i>lipoxygenase inhibition (LOX) studies of dichlorophenyl substituted 3-hydroxy-chromenones
Muhammad Naeem Ahmed, Mehreen Ghias, Syed Wadood Ali Shah, Muhammad Harris Shoaib, Muhammad Nawaz Tahir, Muhammad Ashfaq, Mahmoud A. A. Ibrahim, Hina Andleeb, Diego M. Gil, Antonio Frontera
Abstract
This work reports the synthesis, X-ray characterization and theoretical study of dichlorophenyl substituted 3-hydroxy-chromenones focusing on the low prevalence of halogen bonds and in vitro and in silico lipoxygenase inhibition (LOX) studies.
Topics & Concepts
ChemistryIn silicoIn vitroLipoxygenaseCharacterization (materials science)HalogenX-rayStereochemistryComputational chemistryCombinatorial chemistryEnzymeBiochemistryOrganic chemistryNanotechnologyMaterials scienceAlkylPhysicsQuantum mechanicsGeneSynthesis and biological activitySynthesis of Organic CompoundsSynthesis and Reactions of Organic Compounds