Spectral, DFT and Antibacterial Studies of Tin(ii) Complexes of Schiff Bases Derived From Aromatic Aldehyde and Amino Acids

doi:10.7324/rjc.2017.1021668

Rasayan J Chem

2017

DOI: 10.7324/rjc.2017.1021668

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Spectral, DFT and Antibacterial Studies of Tin(ii) Complexes of Schiff Bases Derived From Aromatic Aldehyde and Amino Acids

Abstract: New tin(II) complexes of -amino acid Schiff bases (HL) derived from condensation of various -amino acids (tryptophan, phenylalanine, valine, isolecine, methionine, alanine, cysteine, serine, aspartic acid) and aromatic aldehyde were synthesized. The molar conductance low vales reveal that all the tin(II) complexes were nonelectrolytes. The structure of complexes were proposed in light of analytical techniques, infra-red, multinuclear magnetic resonance ( Sn), UV-Vis spectral data and theoretical studies. On th… Show more

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Cited by 3 publications

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Design, Spectroscopic Characterization and Theoretical Studies of Organotin(IV) and Organosilicon(IV) Complexes with Schiff Base Ligands Derived from Amino Acids

Bhanuka¹,

Khaturia

Chahar

et al. 2020

Asian J. Chem.

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A new series of organotin(IV) and organosilicon(IV) complexes were synthesized using the Schiff base ligands [2-((3,4-dimethoxybenzylidene)amino)-3-(1H-indol-3-yl)propanoic acid (L1H) and 2-((3,4-dimethoxybenzylidene)amino)-3-methylbutanoic acid (L2H)]. The synthesized compounds were characterized by IR, NMR (1H and13C), elemental analysis and theoretical studies. The molar conductivity values of the complexes in DMF implied the presence of non-electrolyte species. Spectral data showed that in these complexes the metal atoms are coordinated with the Schiff base ligand acts as a bidentate ON moiety, coordinating to the metal through its carboxylate oxygen and imine nitrogen. The IR spectra of the complexes showed large differences between νasy(COO) and νsy(COO), Δν (νasy(COO)–νsy(COO)) of 260-276 cm–1, indicating monodentate nature of the carboxylate group. Furthermore, the density functional theory (DFT) calculations were executed at the B3LYP/6-31G(d,p)/ LanL2DZ basis set of theory for the optimized geometry of Schiff base complexes. The structural parameters, bond length, bond angles, chemical potential, electronegativity, hardness, softness, global electrophilicity index have been studied theoretically by density functional theory (DFT) to support the experimental results.

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Design, Spectroscopic Characterization and Theoretical Studies of Organotin(IV) and Organosilicon(IV) Complexes with Schiff Base Ligands Derived from Amino Acids

Bhanuka¹,

Khaturia

Chahar

et al. 2020

Asian J. Chem.

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Lead(II) Schiff Base Complexes: Design, Synthesis, Theoretical, Antibacterial and Docking Studies

Sharma

Singh

2022

Asian J. Chem.

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This study presented the bioactive lead(II) compounds of oxazine and thiazine Schiff-bases using NMR (1H, 13C), FT-infrared spectroscopy, UV-visible, molar conductance, elemental analysis and molecular weight. The molecular parameters e.g. bond length, bond angle, HOMO/LUMO energy gap and softness/hardness was calculated by DFT-B3LYP/Lanl2dz basis set. According to the spectral data, the Schiff-base coordinated to the lead atom in bidentate mode. A theoretical DFT computational investigation was conducted to supplement the experimental data. The antibacterial activity of lead complexes against E. coli (–) and S. aureus (+) bacteria was determined by disc-diffusion method. Lead complexes of thiazine derivatives are more active than oxazine derivatives. In order to better understand the molecular interaction and binding mode of the drugs, a molecular docking study has been carried out on the protein 3q8u (NDK) from S. aureus. A docking investigation with the NDK protein (S. aureus) revealed that compound 1h has the highest binding affinity (-8.18 Kcal/mol) among the eight ligands (1a-h).

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Ferrocene and Organotin (IV) Conjugates Containing Amino Acids and Peptides: A Promising Strategy for Searching New Therapeutic and Diagnostic Tools

Román

Ramírez

Fierro-Medina

et al. 2020

COC

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: Organometallic complexes are an important class of synthetic reagents and are of great interest due to their versatility and wide biological application. The cationic nature of the coordination nucleus facilitates its interaction with biological molecules such as amino acids, proteins, and nucleic acids [1]. The functionalization of peptides or amino acids with organometallic motifs is a novel strategy for the design and development of molecules with greater biological activity, stability in biological environments, and selectivity for specific targets, which makes them valuable tools for designing and obtaining molecules with therapeutic applications. The physicochemical properties of ferrocene make it ideal for drug development, due to its structure, stability in aqueous solutions, redox properties, and low toxicity. In the same way, organotin (IV) derivatives have great potential for drug development, because of their multiple biological activities, wide structural versatility, high degree of stability, and low toxicity. However, the synthesis of these drugs based on organometallic molecules containing ferrocene or organotin (IV) is quite complex and represents a challenge nowadays; for this reason, it is necessary to design and implement procedures to obtain molecules with a high degree of purity, in sufficient quantities, and at low cost. This review describes the strategies of synthesis used up to now for the preparation of organometallic amino acids and peptides containing ferrocene or organotin (IV) derivates, as well as their impact on the development of therapeutic agents.

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Spectral, DFT and Antibacterial Studies of Tin(ii) Complexes of Schiff Bases Derived From Aromatic Aldehyde and Amino Acids

Cited by 3 publications

References 15 publications

Design, Spectroscopic Characterization and Theoretical Studies of Organotin(IV) and Organosilicon(IV) Complexes with Schiff Base Ligands Derived from Amino Acids

Design, Spectroscopic Characterization and Theoretical Studies of Organotin(IV) and Organosilicon(IV) Complexes with Schiff Base Ligands Derived from Amino Acids

Lead(II) Schiff Base Complexes: Design, Synthesis, Theoretical, Antibacterial and Docking Studies

Ferrocene and Organotin (IV) Conjugates Containing Amino Acids and Peptides: A Promising Strategy for Searching New Therapeutic and Diagnostic Tools

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