1. In silicoEvaluation of 2,4-diaminoquinazoline Derivatives as Possible Anticancer agents.
- Author
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M., Prasanna Sheela, Prashant S., P. B., Kavi Kishor, and Murthy, Dwarkanath K.
- Subjects
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ANTINEOPLASTIC agents , *SIGNAL recognition particle receptor , *QUINAZOLINE , *CASPASES , *MOLECULAR docking - Abstract
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 toin silico screening followed by molecular docking with caspase-9 protein. Initially, compounds were screened for drug-likeness usingSwissADME, 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 preliminary screening, 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. [ABSTRACT FROM AUTHOR]
- Published
- 2022
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