Record Details

Synthesis, quantum chemical computation, molecular docking analysis and biological activity of chlorophenyl thiazolyl naphthyl methanone as dendrodoine analogs

NOPR - NISCAIR Online Periodicals Repository

View Archive Info
 
 
Field Value
 
Title Synthesis, quantum chemical computation, molecular docking analysis and biological activity of chlorophenyl thiazolyl naphthyl methanone as dendrodoine analogs
 
Creator Brilla, C
Reji, T F Abbs Fen
 
Subject IR
1H NMR
13C NMR
Mass spectra
Quantum chemical computation
Antioxidant
Anticancer
 
Description 703-713
A series of chlorophenyl thiazolyl naphthyl methanone derivatives have been synthesized and found to possess a wide spectrum
of biological activities. Chlorophenyl thiazolyl naphthyl methanone has been synthesized and characterized by elemental analysis
IR, 1H and 13C NMR and mass spectral data. Quantum chemical computation and vibrational spectral analysis of
chlorophenyl thiazolyl naphthyl methanone have been carried out using DFT level B3LYP with 6-31G basis set. Electric dipole
moment (μ) values have been computed by utilizing ab initio and DFT quantum mechanical calculations. The energy gap is an
indicator of chemical reactivity, kinetic stability and polarizability. The novel compounds show very good antioxidant and
anticancer activity. Docking studies have been performed for target molecules using the molecular docking software. The
antioxidant activity of chlorophenylthiazolylnaphthylmethanone has been analyzed using the DPPH radical scavenging assay.
Among the studied compounds, (4-chlorophenyl-2-diethylaminothiazol-5-yl-2-naphthyl)methanone 2b is highly active on the
SKMEL cell line.
 
Date 2023-07-20T09:07:26Z
2023-07-20T09:07:26Z
2023-07
 
Type Article
 
Identifier 2583-1321 (Online); 0019-5103 (Print)
http://nopr.niscpr.res.in/handle/123456789/62318
https://doi.org/10.56042/ijc.v62i7.3728
 
Language en
 
Publisher NIScPR-CSIR,India
 
Source IJC Vol.62(07) [July 2023]