Design, spectral, thermal decomposition, antimicrobial, docking simulation and DNA binding tendency of sulfisoxazole azo dye derivative and its metal chelates with Mn²⁺, Fe³⁺, Co²⁺, Ni²⁺, Cu²⁺, Zn²⁺ and Cd²⁺

Abstract

The present work discusses the synthesis and structure elucidation of azo ligand named 3,4‐dimethylisoxazol‐5‐yl‐4‐((3‐formyl‐4‐hydroxyphenyl)diazenyl) benzenesulfonamide (abbreviated as MIBS). MIBS ligand has been employed for the synthesis of a series of transition metal chelates in which the transition metal incorporated are Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Zn(II) and Cd(II). The isolated metal chelates have been demonstrated to be formed in 1:1 (M:L) ratio for all complexes excluding the Cd(II) chelate which have 1:2 (M:L) composition. The mode of bonding of the ligand towards the metal centre has been concluded from inspection of the FTIR spectra of both ligand and complexes, providing that the ligand attached to the meal centres through the carbonyl and deprotonated hydroxyl oxygen atoms. The geometry of the formed complexes has been proved to be tetrahedral for Mn(II), Co(II), Zn(II) and Cd(II) compounds and octahedral for the remaining chelates. Bioassay investigation of the synthesized compounds against Gram‐negative and Gram‐negative bacteria and fungi has been performed in comparison with familiar standard drugs. Among the tested compounds, Cd(II) and Co(II) complexes showed the highest activity against the tested microorganisms, which is in good matching with docking studies. The interaction manner of the isolated compounds with SS‐DNA has been inspected by means of electronic absorption titration and viscosity studies.

A series of nanosized Cu(II) complexes based on sulfonamide azo dye ligands: An insight into complexes molecular structures, antimicrobial, antitumor and catalytic performance for oxidative dimerization of 2‐aminophenol

“…The biological activity of such coordination linkages may also be improved or altered in comparison to the non-complexed ligands. [20][21][22] The suitable metal ion and coordinating ligand selection is pivotal issue.…”

Metal Chelates of Sulfafurazole Azo Dye Derivative: Synthesis, Structure Affirmation, Antimicrobial, Antitumor, DNA Binding, and Molecular Docking Simulation

“…Structure-based drug designs are an essential part of most industrial drug discovery programs. Terefore, to primarily examine the extent of the synthesized compounds' biological efcacy, their Te complete profle of the investigated substances' interactions with 4m01 is depicted in Table 5 and Te value of bond lengths for the majority of interactions that were found to be, in most cases, smaller than 3.5 Å, is the reported range for true docking track [33]. Tese values led to the conclusion that the investigated compounds had real docking tracks to both 4m01 and 4ynt.…”

Investigation of anti‐inflammatory and antimicrobial activities of hydrazone‐based diorganotin (IV) complexes: Synthesis, spectroscopic characterization, and computational studies

“…[12][13][14][15] These compounds possess a diverse range of biological activities, making them attractive candidates for drug development. 16 Diorganotin (IV) complexes are a class of chemical compounds that consist of a central tin atom that is covalently bonded to two organic groups and various ligands, which makes them versatile and useful in different areas such as catalysis, 17 polymer chemistry, 18 biological activity [19][20][21] and material science. Among various ligand scaffolds used in tin complexes, hydrazones are notable for their unique chelating properties owing to the presence of an additional chelating center as C=O in addition to the functional group (HN=CH)C=, which allows them to coordinate with different metal ions as either protonated or deprotonated species, forming a diverse array of homo-and hetero-chelates with distinct geometrical structures.…”