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Please use this identifier to cite or link to this item: http://repository.iitr.ac.in/handle/123456789/1439
Title: Ferulic acid amide derivatives as anticancer and antioxidant agents: synthesis, thermal, biological and computational studies
Authors: Kumar N.
Kumar S.
Abbat S.
Nikhil K.
Sondhi S.M.
Bharatam P.V.
Roy, Partha
Pruthi V.
Published in: Medicinal Chemistry Research
Abstract: Abstract: The design and microwave-assisted synthesis of four series (IIIa–IIIo, Va–Vg, VIIa–VIIg and IXa–IXe) of mono and bis-amide derivatives of ferulic acid have been achieved under solvent-free conditions and, subsequently characterized by spectroscopic techniques. During thermal analysis, all the compounds were found stable up to 100 °C and decomposed through single step at higher temperature. The derivatives were screened for their in vitro cytotoxicity and antioxidant activity, respectively and observed that compound Vb was most active against breast (MCF-7; IC50 = 07.49 µM and MDA-MB-231; IC50 = 07.28 µM), Vd against lung (A549; IC50 = 07.11 µM) and liver (HepG2; IC50 = 08.32 µM), and Ve against cervical (HeLa; IC50 = 07.14 µM) cancer cell lines, while compounds IIIf, IIIl, IIIo, VIIe and IXa–IXe were found to exhibit the strong antioxidant activity with respect to their parent molecule. Previous reports for the biological applications of ferulic acid amides also confirmed the importance of work presented here. The 3D-QSAR studies for anticancer and antioxidant activities were also performed by using CoMFA, and the corresponding contour maps of electrostatic and steric fields have been computed. Statistical analysis between experimental and CoMFA-predicted data for pIC50 have been accomplished by curve fitting analysis which showed the significant correlation. Graphical Abstract: [Figure not available: see fulltext.] © 2016, Springer Science+Business Media New York.
Citation: Medicinal Chemistry Research (2016), 25(6): 1175-1192
URI: https://doi.org/10.1007/s00044-016-1562-6
http://repository.iitr.ac.in/handle/123456789/1439
Issue Date: 2016
Publisher: Birkhauser Boston
Keywords: 3D-QSAR
Amide derivatives
Anticancer and antioxidant activity
CoMFA
Ferulic acid
ISSN: 10542523
Author Scopus IDs: 57210345407
57216459762
56380640600
57192281884
7006090710
7003812504
35509207200
18837702800
Author Affiliations: Kumar, N., Department of Biotechnology, Indian Institute of Technology Roorkee, Roorkee, Uttarakhand 247667, India
Kumar, S., Department of Chemistry, Indian Institute of Technology Roorkee, Roorkee, 247667, India
Abbat, S., Department of Pharmacoinformatics, NIPER, S.A.S. Nagar, Mohali, 160062, India
Nikhil, K., Department of Biotechnology, Indian Institute of Technology Roorkee, Roorkee, Uttarakhand 247667, India
Sondhi, S.M., Department of Chemistry, Indian Institute of Technology Roorkee, Roorkee, 247667, India
Bharatam, P.V., Department of Medicinal Chemistry, NIPER, S.A.S. Nagar, Mohali, 160062, India
Roy, P., Department of Biotechnology, Indian Institute of Technology Roorkee, Roorkee, Uttarakhand 247667, India
Pruthi, V., Department of Biotechnology, Indian Institute of Technology Roorkee, Roorkee, Uttarakhand 247667, India
Corresponding Author: Kumar, N.; Department of Biotechnology, Indian Institute of Technology RoorkeeIndia; email: nareshkumariitr@gmail.com
Appears in Collections:Journal Publications [BT]

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