Search

In this study, Schiff base ligand 1,1′‐((propane‐1,3‐diylbis [azaneylylidene]) bis (methaneylylidene))bis (naphthalen‐2‐ol) based Organyltellurium (IV) complexes were synthesized with formulae C32H27ClN2O3Te (5a)\C31H25ClN2O3Te (5b)\C32H27ClN2O3Te (5c)\ C39H34N2O4Te (5d)\ C37H30N2O4Te (5e)\ C39H34N2O4Te (5f) for acquiring a potential therapeutic agent. The synthesized compounds were characterized by ultraviolet–visible (UV–Vis), FT‐IR, 1H‐NMR, 13C‐NMR, mass spectrometry, molar conductance, elemental analysis, powder X‐ray diffraction and EDAX, which states that the tetradentate Schiff base ligand (HNDP) coordinated via oxygen and nitrogen atom with tellurium giving hexa‐coordinated tellurium (IV) complexes. The thermal features of the ligand and complexes were studied using thermal (TGA and DTG) technique. The biochemical behavior of the Schiff base and its complexes was assessed by examining their reactivity against various microbial strains, DPPH free radicals as well as normal and cancer cells. The complex 5c exhibited the highest inhibition activity against bacterial strains while complex 5f showed the strongest inhibition activity against fungal strains. Complexes 5e and 5f displayed the most effective suppression of DPPH free radicals. The results of in vitro cytotoxicity study revealed that complex 5a demonstrated moderate cytotoxic effect on the L929 cell lines. Complex 5c displayed a significant cytotoxic effect on the PC3 cell line. Moreover, complex 5a, 5c and 5e exhibited the best cytotoxic activity against the Saos‐2 cell line. Additionally, the structural forms of synthesized compounds were elucidated by DFT study. Furthermore, pharmacokinetic ADMET properties were estimated for their drug similarity behavior. The results advocate that complexes can be utilized as biological drugs. [ABSTRACT FROM AUTHOR]

In the recent decade, due to the widespread distribution of infectious diseases, a significant series of compounds have been synthesized to fight these diseases. Among the different series of compounds, organotellurium(IV) complexes played a significant role in dealing with a variety of infectious diseases. In this connection, we have designed and synthesized six novel organotellurium(IV) complexes using 5-methyl-2-thiophenecarboxaldehyde (5MTCPT) Schiff base. The synthesized compounds were investigated by several spectral and computational techniques like FT-IR, 1H NMR, mass spectrometry, 1 3 C NMR, TGA, SEM/EDAX, DFT and Molecular docking. The spectroscopic results apparently demonstrate that ligand depicts bidentate complexation through N and S atoms. The in vitro pharmacological interpretation of these compounds was executed as effective antimicrobial and antioxidant agents. All the designed compounds were also subjected to geometry optimization with def2-T2VPP and def2-SVP. The optimized structures were used for the molecular docking studies, and it was identified that the tellurium complexes have more effective antimicrobial and antioxidant properties than the Schiff base (5MTCPT). [ABSTRACT FROM AUTHOR]

ABSTRACT The study examines the binding affinities and pharmacological potential of synthesized metal compounds with PfNDH2 in Plasmodium falciparum. So as to identify the combatting agent for malaria, six new organotellurium (IV) complexes (8a–8f) were prepared through a condensation reaction of 3‐methyl‐2‐thiophene carboxaldehyde and p‐nitroaniline. The synthesized compounds were inclusively characterized through physical and spectral techniques signifying a distorted octahedral geometry. The reported complexes were screened for antimalarial and antioxidant activities and analyzed using micro assays and DPPH assays, respectively. Using docking interactions, the research evaluates the binding energies, hydrogen bonds, and steric interactions of various compounds with PfNDH2, aiming to identify promising candidates for antimalarial drug development. Among the compounds, 8f showed the strongest binding affinity, with the lowest binding energy of −135.626 kcal/mol, and diverse hydrogen bonds with the target enzyme. Structure‐based pharmacophore modeling revealed critical interaction profiles and selectivity scores for the compounds, with 8f emerging as a promising candidate. Molecular electrostatic potential (MESP) analysis offered insights into the distribution of electron density within the compounds, influencing their reactivity and potential as antimalarial agents. ADMET analysis highlighted the pharmacokinetic and toxicological profiles of the compounds, revealing critical aspects for optimizing safety and efficacy. Overall, the findings provide valuable information for further development and optimization of potential antimalarial drugs. [ABSTRACT FROM AUTHOR]

Aim: To synthesize and evaluate the antimalarial and antioxidant activities of novel organotellurium (IV) thiophene-based complexes. Materials & methods: Synthesized complexes were characterized using NMR, IR and mass spectrometry. Their biological activities were assessed using in vitro assays and molecular docking studies. Results: The complexes exhibited significant antimalarial activity against Plasmodium falciparum , with the highest activity observed for complexes 5b and 5e. ADMET properties confirmed their potential as therapeutic agents.