Cu(II) and Zn(II) complexes from a thiosemicarbazone derivative: Investigating the intermolecular interactions, crystal structures and cytotoxicity

Synthesis of Zn(ii) coordination complexes, their molecular design and docking with SARS-CoV-2 RBD protein and Omicron spike protein

“…The bite angle around the Zn( ii ) was 77.53(8)°, which may be considered normal when compared with an average value of 77° cited in the literature. 70,71 The bond angles of N(2)–Zn(1)–O(1), N(5)–Zn(1)–O(1), and O(1)–Zn(1)–N(1) as 75.47(7)°, 97.42(8)°, and 152.86(8)°, respectively, indicate a slight tilting of the apical Zn(1)–N(2) bond in the direction of the N(1)–Zn(1) bond and away from N(5)–Zn(1) bond. The Zn–O and Zn–N bond distances were in the usual range as reported in the literature.…”

“…The Zn–O and Zn–N bond distances were in the usual range as reported in the literature. 70,71 In the Zn( ii ) complex [Zn(L)(en)]ClO 4 ( 1 ), several short contacts and hydrogen bonding 72 were built up from C–H⋯O/N–H⋯O connecting units (Table S2, ESI†). The packing diagram showed intermolecular C–H⋯O interaction between the H atoms of the aromatic rings and the neighbouring oxygen atoms.…”

“…The interaction energies of the Zn( ii ) complexes [Zn(L)(en)]ClO 4 ( 1 ) and [Zn(L) 2 ] ( 2 ) were comparable to those of other coordination complexes reported in the literature. 70,71…”

Thiosemicarbazones-Loaded Injectable Hydrogels with Self-Healing and Antibacterial Activity for Wound Healing

“…The N−N band shows less intensity in the FPZ-H 2 L hydrogels and has shifted to lower energies due to the existence of a hydrogen bond. 42 The peak at 520 cm −1 in the FPZ hydrogel and FPZ-H 2 L hydrogel spectra is ascribed to the Zn−O bond, which is a critical factor in gelation (Figure S3). The thioamide band is in the FPZ-H 2 L hydrogels spectrum, indicating that the metal may pass through the coordination of sulfur.…”

Bioactive Thiosemicarbazone Coordination Metal Complexes: Synthesis, Characterization, Theoretical analysis, Biological Activity, Molecular Docking and ADME analysis**

“…[19][20][21] Thiosemicarbazones biological activities depend on parent aldehydes/ketones and are found to be more prominent in metal complexes. [22,23] Diverse thiosemicarbazone complexes shown anticancer, [24,25] antimicrobial, [26,27] antioxidant, [28,29] antiviral, [30] antileukaemia, [31] antileishmanial, [32] antiproliferative activity. [33] The thiosemicarbazone complexes are known for their biological activity and exhibit remarkable colorimetric sensing properties.…”