Synthesis, characterization and biological evaluation of Ru(III) mercaptopyrimidine Schiff base complexes

Abstract

A new series of mercaptopyrimidine Ru(III) complexes were synthesized and characterized using various spectral techniques like single‐crystal X‐ray diffraction, Fourier transform infrared and NMR spectroscopies, thermogravimetric analysis and energy‐dispersive X‐ray analysis. The complexes were evaluated for their pharmacological activities like in vitro antimicrobial, anticancer, antituberculosis and antioxidant activities. The DNA binding of the complexes was investigated by absorption and emission spectral measurements which indicated that the complexes bind to DNA via intercalation, with molecular docking studies validating the results. DNA cleavage studies of the complexes were carried out.

New Schiff's base derivative and their nano‐sized Cr (III), Fe (III), Ru (III), and Ir (III) complexes: Preparation, DFT, characterization, bio‐catalytic, DNA interactions, cytotoxicity, and docking studies

“…5.93 BM, 70–75 which agrees to five unpaired electrons and shows the octahedral configuration. The Ru (III) complex (Figure S3) has shown the three bands around 472 (21,186), 502 (19,920), and 572 nm (17,482) (cm −1 ) which is attributed to the ( 2 T 2 g → 2 A 1 g), ( 2 T 2 g → 4 T 2 g), and ( 2 T 2 g → 4 T 1 g) transitions, respectively, corresponding to Ru (III) octahedral complex 76 . The magnetic moment value of Ru (III) complex μ eff.…”

Aminobenzimidazole‐based (η6‐p‐cymene)ruthenium (II) complexes as nascent anticancer chemotherapeutics: Synthesis, crystal structure, DFT studies, HSA interactions, molecular docking, and cytotoxicity

“…HOMO–LUMO energy gaps of this magnitude are not uncommon, and values of the same order, that is, 3.00–5.00 eV, have been recorded for Ru (II) complexes of comparable counterparts with N, O donors. [ 74–77 ]…”

“…HOMO-LUMO energy gaps of this magnitude are not uncommon, and values of the same order, that is, 3.00-5.00 eV, have been recorded for Ru (II) complexes of comparable counterparts with N, O donors. [74][75][76][77] 3.9 | Molecular docking: Docking of compounds 1 and 2 with HSA The use of computational approaches to develop new chemotherapeutic drugs by examining the unique interactions of small molecules with nucleic acids and other choose a binding location according to their nature of functional groups, either Sudlow's site I (subdomain IIA) or Sudlow's site II (subdomain IIIA). This study shows that the ligands L H and L Me preferentially bind to the binding site IB (Figure 10).…”

Transition Metal Complexes with Tridentate Schiff Bases (O N O and O N N) Derived from Salicylaldehyde: An Analysis of Their Potential Anticancer Activity

“…This result can be attributed to the higher number of non‐covalent interactions with DNA caused by the availability of electrons in the additional ring for Ru‐06 , or to the presence of the ‐NO 2 group for Ru‐05 . In addition, the electron‐donating or electron‐withdrawing functional groups in Ru‐04 and Ru‐05 should produce a higher dipole moment than in Ru‐06 , which should obstruct the complex insertion through the lipid membrane [160] (Figure 21 , Table 19 ).…”