SYNTHESIS,STRUCTURAL COMMENTARY,SUPRAMOLECULAR ARCHITECTURE,AND MOLECULAR DOCKING INVESTIGATIONS OF A NOVEL THIOPHENE-FUSED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVE AS A POTENT ANTI-CANCER AGENT

摘要

The 1,2,3,4-tetrahydroisoquinoline derivative compound fused with thiophene(BDTTIQ)is synthesized by the slow evaporation solution growth method and characterized by SCXRD,~1Н and ~(13)C NMR techniques.In the synthesized compound,the tetrahydroisoquinoline fragment of BDTTIQ is almost in the half-chair conformation.A 3D supramolecular architecture is attained by intermolecular С-H...O and С-Н...π interactions in the crystal structure.Molecular docking simulations are carried out to examine the inhibitory nature of the synthesized compound BDTTIQ against ARK1C3 protein.