DFT mechanistic study of [4+2] cycloaddition reactions of 1-methyl-1H-pyrrole-2,5-dione with furoic acid, anticancer Activity, molecular modeling and ADMET properties of new products from the Norcantharimide family substituted by a carboxylic acid

Identification of hCA I, hCA II, AChE and BChE Inhibitory Properties of Some Norcantharimide Derivatives; Molecular Docking, SAR and in silico ADME Studies

“…It has been reported that the tricyclic norcantharimide derivatives synthesized in these studies are quite compatible with the active pocket of the enzymes and their coordinations are fully coherent. Due to the interactions between corresponding amino acid residues and norcantharimide‐derived molecules (carbon–hydrogen, hydrogen–hydrogen, hydrogen–oxygen, and cation–π), these structures are known to be potential anticancer agents [25,30, 32] . In our work, in tricyclic norcantharimide derivatives besides nitrogen, different substituted alkyl/aryl groups are responsible for electron exchange via their mesomeric and inductive properties.…”

“…Due to the interactions between corresponding amino acid residues and norcantharimide-derived molecules (carbon-hydrogen, hydrogen-hydrogen, hydrogen-oxygen, and cation-π), these structures are known to be potential anticancer agents. [25,30,32] In our work, in tricyclic norcantharimide derivatives besides nitrogen, different substituted alkyl/ aryl groups are responsible for electron exchange via their mesomeric and inductive properties. In molecules, there is already resonance between the nitrogen in the imide ring and two adjacent carbonyl groups.…”

“…Norcantharimide and its analogs have attracted a lot of interest because of their possible anticancer properties. [22][23][24][25] Over the past two decades, much effort has been devoted to the synthesis of N-derivatives of norcantharimide. The anticancer properties of numerous isoindole-1,3dione derivatives have been investigated in a variety of cell lines such as a bladder cancer cell lines, human liver carcinoma cell lines, epithelial cells, human lung adenocarcinoma, Caucasian promyelocytic leukemia cells and breast adenocarcinoma cell lines.…”

“…These compounds have a tricyclic skeleton containing an imide functional group and a stretched etheric bridge and are known as 3a,4,7,7a‐tetrahydro‐1 H ‐4,7‐epoxyisoindole‐1,3(2 H )‐dione derivatives. Norcantharimide and its analogs have attracted a lot of interest because of their possible anticancer properties [22–25] . Over the past two decades, much effort has been devoted to the synthesis of N ‐derivatives of norcantharimide.…”