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


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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, 1H and 13C 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 C-H...0 and C-H...71 interactions in the crystal structure. Molecular docking simulations are carried out to examine the inhibitory nature of the synthesized compound BDTTIQ against ARK1C3 protein.

Sobre autores

S. Murugavel

Department of Physics

Autor responsável pela correspondência
Email: smurugavel27@gmail.com
Índia, Vellore, Tamilnadu

N. Manikandan

Department of Physics

Email: smurugavel27@gmail.com
Índia, Vellore

C. Ravikumar

Department of Physics

Email: smurugavel27@gmail.com
Índia, Vellore

K. Naveen

Organic Chemistry Division

Email: smurugavel27@gmail.com
Índia, Adyar, Chennai

P. Perumal

Organic Chemistry Division

Email: smurugavel27@gmail.com
Índia, Adyar, Chennai

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