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Molecular Modeling Based Synthesis and Evaluation of In vitro Anticancer Activity of Indolyl Chalcones

[ Vol. 15 , Issue. 11 ]

Author(s):

Rashmi Gaur, Dharmendra K. Yadav, Shiv Kumar, Mahendra P. Darokar, Feroz Khan and Rajendra Singh Bhakuni   Pages 1003 - 1012 ( 10 )

Abstract:


A series of twenty one chalcone derivatives having indole moiety were synthesized and were evaluated against four human cancer cell lines. Indolyl chalcones 1a, 1b, 1d, 1f-1j, 2c, 2e, 2i showed good anticancer activity. Chalcones 1b and 1d were the most active and selective anticancer agents with IC50 values <1μg/ml and 1.51μg/ml, against WRL-68 cell line, respectively. Molecular mechanism was explored through in silico docking & ADMET studies.

Keywords:

1, 3-Diaryl-2-propen-1-ones, Anticancer agents, Indolyl chalcones.

Affiliation:

Medicinal Chemistry Division, CSIR-Central Institute of Medicinal and Aromatic Plants, Lucknow- 226015, India.

Graphical Abstract:



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