Usha Rani Peddaboina^1,, Anitha Sadhula^1, and Ravinder Nath Anisetti^2,*,

¹Department of Pharmacy, University College of Technology, Osmania University, Hyderabad-500007, India

²Department of Botany, Central University of Kashmir, Green Campus, Duderhama, Ganderbal-191201, India

*Corresponding author: E-mail: ravindernathaniseti@yahoo.com

In present study, coumarin imidazolone hybrids were synthesized on the basis of the molecular docking analysis of the compounds (11a-h) by using PyRx 0.8 software. The molecules docking studies were performed against the targets Hsp90 and human type IIA DNA topoisomerase and compared the same with standard drugs fluconazole and doxorubicin. Among all the compounds 11d (-12.7 kcal/mol) and 11f (-12.4 kcal/mol) showed good binding affinity towards human Hsp90 and 11d (-11.5 kcal/mol) and 11e (-11.4 kcal/mol) showed good binding affinity against human type IIA DNA topoisomerase. Based on the positive results a series of eight novel titled compounds (1-(4-(4-(arylidene)-5-oxo-2-phenyl-4,5-dihydro-1H-imidazol-1-yl)phenyl)ethylidene)-2-oxo-2H-chromene-3-carbohydrazides (11a-h) have been prepared by the method of condensation of 1-(4-acetylphenyl)-4-arylidene-2-phenyl-1H-imidazol-5(4H)-ones (5a-h) with 2-oxo-2H-chromene-3-carbohydrazide (10). Characterization of the synthesized compounds were conducted by FT-IR, ¹H NMR, ¹³C NMR, mass spectral studies and screened for their antioxidant, anticancer and antimicrobial activities. The compounds were analyzed for physico-chemical and pharmacokinetic properties of all the compounds showed good to moderate properties.

Imidazolones, Coumarins, Human Hsp90, Human Type IIA DNA topoisomerases, Anticancer activity.