• Ms. Gracie. P. J
• Dr. A. Jeyabharathi
• Dr. A. V. Jhone Verjhula

The small molecule of selenadiazole in the fused pyrazole moeity is found to exhibit anti-angiogenic activity inhibiting tumour cell colony formation. This study investigates the conformation, packing, molecular geometry and structural analysis of selenadiazole derivative of a pyrazole ring with the formula C21 H20 Cl N2 O Se. Further this compound was used for computational molecular docking analysis with the heat shock protein which is a significant anti-cancer drug target. The binding sites were predicted through molecular modeling. The derivatives of selenadiazole are seemingly potential anti-tumor drug targets.

Selenadiazole, Docking analysis, anti-tumor drug, Heat shock protein

"Investigations on the X-ray Structural Studies and Docking Analysis of 1–(4–chlorophenyl) – 3 phenyl – 3 – (4,5,6,7 –tetrahydrobenzo [d] [123]selenadiazol 4 –yl) propan –1–one", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.6, Issue 1, page no.350-357, January-2019, Available :http://www.jetir.org/papers/JETIR1901042.pdf

"Investigations on the X-ray Structural Studies and Docking Analysis of 1–(4–chlorophenyl) – 3 phenyl – 3 – (4,5,6,7 –tetrahydrobenzo [d] [123]selenadiazol 4 –yl) propan –1–one", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.6, Issue 1, page no. pp350-357, January-2019, Available at : http://www.jetir.org/papers/JETIR1901042.pdf