1Department of Biotechnology, Telangana University, Dichpally, Nizamabad-503322, Telangana, India
2Department of Genetics and Biotechnology, Osmania University, Hyderabad-500007, Telangana, India
3Department of Biotechnology, Vignan’s Foundation for Science, Technology & Research (Deemed to be University), Vadlamudi, Guntur - 522 213, Andhra Pradesh, India
*Corresponding author: dwarkanath49@gmail.com
Online published on 4 July, 2024.
The quinazoline nucleus is one of the most privileged scaffolds for the designing of pharmacodynamic compounds. There were several molecules originated from natural as well as synthetic sources. Molecules with quinazolinenucleus have been found not only aspotential anticancer agents butalsofor treating other diseases. In the present study, the designed compounds were subjected to in silico screening followed by molecular docking with caspase-9 protein. Initially, compounds werescreened for drug-likeness using Swiss ADME, Osiris Property Explorer, ProTox-II, and PASS web servers. It has been found that most of the compounds interactwith caspase-9 through H-bonding. During the preliminaryscreening, the compounds have shown druglikeness anddevoid of any mutagenicity and hepatotoxicity. Our results indicate that these scaffolds could be further improved for their anticancer efficacy by structural modifications.
Quinazoline, In silico, Caspase-9, Drug-likeness, Anticancer
