Anticancer and Molecular Docking Studies of 1-(5-substituted phenyl) isoxazol-3-yl)-5-phenyl-1H-tetrazoles
N. Kaushik
Department of Pharmacy, School of Medical and Allied Sciences, Galgotias University, Greater Noida, Gautam Budh Nagar 201306, India.
N. Kumar *
School of Medical and Allied Sciences, K. R. Mangalam University, Gurgaon 122103, India.
A. Kumar
Department of Pharmaceutical Technology, Meerut Institute of Engineering and Technology, Meerut 250005, India.
S. Kumar
Department of Pharmacy, School of Medical and Allied Sciences, Galgotias University, Greater Noida, Gautam Budh Nagar 201306, India.
B. K. Chaudhary
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Ahmedabad 382355, India.
*Author to whom correspondence should be addressed.
Abstract
Cancer a leading cause of human mortality worldwide is characterised by the unseemly growth of cellular mass and signalled through the enlargement of stress. Management of cancer treatment is still buried and has been recently alerting the need to discover a drug molecule with lesser side effects. The objective of the present study is to explore the anticancer activity and docking studies of 1-(5-substituted phenyl) isoxazol-3-yl)-5-phenyl-1H-tetrazole derivatives. The compounds were evaluated for in-vitro anticancer activity under the drug discovery program of National Cancer Institute (NCI), USA. Only seven compounds were selected and screened for anticancer activity at a single high dose (10-5 M) using NCI 60 cancer cell lines. Among all the selected compounds, 4b and 4i exhibited significant anticancer activity against Leukemia cell lines. Molecular docking studies for the 5-phenyl-1-(5-substituted phenylisoxazol-3-yl)-1H-tetrazole analogues was done by Schrodinger software. Docking results stated that the compounds 4b and 4i has good dock score among the other derivatives which shows good binding efficiency towards receptor.
Keywords: Sodium azide, isoxazole, tetrazole, renal cancer, breast cancer, molecular docking