Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry
ISSN: 0975-413X
Abstract
Microwave-assisted synthesis of spirocarbocycle derivatives and their anticancer activity, molecular docking studies
Author(s): Rajesh Kumar M, Manikandan A, Sivakumar A.,Sudha Priya N.Perumal P. T. and Violet Dhayabaran V.An efficient microwave assisted one pot protocol has been developed to synthesize four spirocarbocyle derivatives from few vinyl malononitriles, substituted aldehydes and indandione. The synthesized compounds were characterized using IR, 1H NMR, 13C NMR, mass spectral studies and elemental analysis. Anti-cancer studies were carried out for compounds 4a-d using (MCF-7) and the docking study of these compounds was also performed in order to verify the efficiency and binding interaction with BRCA1 protein with the PDB ID: 1JNX. For the anticancer activity compound 4d showed a maximum activity with an IC50 value of Compounds 4d (4.02±0.98 μg/ml), 4c (3.89±0.82 μg/ml) and 4a (4.42±0.98 μg/ml) were showed almost close activity when compare with the satandard doxorubicin (3.36±0.38). The least binding energy in docking study was found for the compound -16.03 kcal/mol was best among all tested compounds.
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