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Synthesis, characterization and biological evaluation of heterocyclic triazole derived Schiff base ligands comprising Mn(II) complexes: Implications of their DNA/protein binding docking and anticancer activity studies

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Title Synthesis, characterization and biological evaluation of heterocyclic triazole derived Schiff base ligands comprising Mn(II) complexes: Implications of their DNA/protein binding docking and anticancer activity studies
 
Creator V Sangeetha, T
Mohanapriya, S
Bhuvaneswari, N
 
Subject Heterocyclic Schiff base
1H-1,2,4-triazol-3-amine ligands
Mn(II) complexes
Inorganic complex
Antimicrobial studies
Molecular docking
 
Description 797-805
Schiff base ligands comprising heterocyclic moieties deserve distinct consideration because of their excellent
chemotherapeutic and antioxidant properties as biologically active agents. In present investigation, two novel heterocyclic
triazole derived Schiff base ligands have been synthesized using 3-chlorobenzaldehyde (L1), 4-methoxybenzaldehyde (L2)
with 1H-1,2,4-triazol-3-amine backbone that are biologically active. Mn(II) complexes have been synthesized by combing
ligands in 1:2 molar ratio (metal:ligand), their structure and bonding nature are recognised by respective physical, spectral
and analytical data. The ligands (L1 & L2) and their metal complexes are characterized by elemental analyses, electronic,
FT-IR, 1H and 13C NMR and EPR spectroscopy techinques. Antimicrobial activity of the synthesized L1, L2 and their metal
complexes are tested against Bacillus subtilis (Gram-positive, catalase-positive bacterium) as well as Fungi namely Phylium
Aphanidematum, Macrophomina phasiolina, Fusarium oxysporum. Both the ligands and metal complexes exhibit excellent
antimicrobial activity under low inhibitory concentration such MIC ≤ 250 μg/mL. Upon co-ordination, antimicrobial
properties have been enhanced by 21%. The anticancer activity of the synthesized complex has been investigated against
human tumour cell lines (Breast cancer MCF-7 cells) demonstrated that L1M complex displays potent inhibition against
MCF-7. Using this molecular docking study, we can predict the complex–biomolecular interaction and it plays vital role in
the drug discovery and also it is a step by step process which is used to place synthesised compounds into the binding sites
of the DNA molecule. Further, Molecular DNA docking results demonstrated encouraging responses, thereby opening up
new avenues for the application of the synthesized inorganic triazole derivative complexes as leads for the development of
novel anti-cancer drugs.
 
Date 2021-07-07T11:12:36Z
2021-07-07T11:12:36Z
2021-06
 
Type Article
 
Identifier 0975-0975(Online); 0376-4710(Print)
http://nopr.niscair.res.in/handle/123456789/57672
 
Language en
 
Publisher CSIR-NIScPR, India
 
Source IJC-A Vol.60A(06) [June 2021]