Evaluation of in vitro anticancer, antimicrobial and antioxidant activities of new Cu(II) complexes derived from 4(3H)-quinazolinone: Synthesis, crystal structure and molecular docking studies

Ubale, P and Mokale, S and More, S and Waghamare, S and More, V and Munirathinam, N and Dilipkumar, S and Das, RK and Reja, S and Helavi, VB and Kollur, SP (2022) Evaluation of in vitro anticancer, antimicrobial and antioxidant activities of new Cu(II) complexes derived from 4(3H)-quinazolinone: Synthesis, crystal structure and molecular docking studies. In: Journal of Molecular Structure, 1251 .

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Abstract

Present study describes synthesis of a series of Cu(II) metal complexes (C1 - C3) of bidentate Schiff base ligands (L1 - L3) derived from the condensation reaction of 3-amino-2-methyl-4(3H)quinazolinone with 2-chlorobenzaldehyde, 4-bromobenzaldehyde and 2-nitrobenzaldehyde. The structural characterization of synthesized compounds has been analyzed on the basis of FT-IR, UV-Visible, 1H NMR and mass spectroscopy. The orthorhombic structure of the L3 is determined by X-ray crystallographic analysis. In silico analysis of all compounds against various protein targets prove to have better interaction parameters in case of c-MET and VEGFR, thus in accordance with the docking score, the colon cell line (HT-29) was selected for further in vitro analysis and the results revealed that L3, C1, C2 and C3 exhibit important anticancer activity when compared with the standard drug Adriamycin. Further, synthesized compounds have shown excellent activity against Gram-positive (Staphylococcus aureus) and Gram-negative pathogens (Escherichia coli) but exhibited poor activity against fungal strain. Antioxidant activity of the all compounds revealed that the complexes displayed a higher scavenging activity than the corresponding ligands. These studies reveal that the coordination of Cu(II) ion with mixed ligands play a vital role in the enhancement of the biological potential of the complexes.

Item Type:	Journal Article
Publication:	Journal of Molecular Structure
Publisher:	Elsevier B.V.
Additional Information:	The copyright for this article belongs to the Journal of Molecular Structure.
Keywords:	Antioxidants; Cell culture; Chelation; Condensation reactions; Copper compounds; Crystal structure; Escherichia coli; Ligands; Mass spectrometry; Metal complexes; Synthesis (chemical); X ray crystallography, 4(3H)-quinazolinones; Anticancer activities; Anticancer screening; Antimicrobial and antioxidant activities; Crystals structures; Cu(II) complex; Docking studies; In-vitro; Molecular docking; Synthesised, Molecular modeling
Department/Centre:	Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited:	01 Jul 2022 06:11
Last Modified:	01 Jul 2022 06:11
URI:	https://eprints.iisc.ac.in/id/eprint/73770

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