Design,Synthesis, Crystal Structure,In Vitro and In Silico Evaluation of New N′-Benzylidene-4-tert-butylbenzohydrazide Derivatives as Potent Urease Inhibitors

Background: Hydrazides play a vital role in making biologically active compounds in various fields of chemistry. These determine antioxidant, antidepressant, antimalarial, anti-inflammatory, antiglycating, and antimicrobial activity. In the present study, twenty-three new N′ benzylidene-4-(tert-butyl)benzohydrazide derivatives (4–26) were synthesized by the condensation of aromatic aldehydes and commercially available 4-(tert-butyl)benzoic acid. All the target compounds were successfully synthesized from good to excellent yield; all synthesized derivatives were characterized via spectroscopic techniques such as HREI-MS and ¹H-NMR. Synthesized compounds were evaluated for in vitro urease inhibition. All synthesized derivatives demonstrated good inhibitory activities in the range of IC₅₀ = 13.33 ± 0.58–251.74 ± 6.82 µM as compared with standard thiourea having IC₅₀ = 21.14 ± 0.425 µM. Two compounds, 6 and 25, were found to be more active than standard. SAR revealed that electron donating groups in phenyl ring have more influence on enzyme inhibition. However, to gain insight into the participation of different substituents in synthesized derivatives on the binding interactions with urease enzyme, in silico (computer simulation) molecular modeling analysis was carried out.     

fac‐Trichloro(quinolin‐8‐ylimido‐N,N′)(triphenylphosphine‐P)rhenium(V)

The Re atom in [Re(C₉H₆N₂)Cl₃(C₁₈H₁₅P)] is octahedrally coordinated by three Cl atoms in facial positions, two N atoms from 8‐imido­quinoline (imq) and one P atom from tri­phenyl­phosphine. The Re—N(imido) distance [1.760 (9) and 1.772 (8) Å] for imq is very short and implies double‐bond character. The trans influence of the P atom is indicated. Intra‐ and intermolecular π–π interactions between the π‐rings in the complex are also observed.     

Superparamagnetic iron oxide as an efficient catalyst for the one-pot, solvent-free synthesis of α-aminonitriles

Superparamagnetic Fe₃O₄ is shown to act as a very efficient catalyst for the one-pot, three-component synthesis of α-aminonitriles from aldehydes, amines, and TMSCN. The catalyst is easily recovered by the use of an external magnet and reused in several reactions without any noticeable loss of activity. The products are obtained rapidly at room temperature in good purity upon separation of the catalyst and evaporation of the volatiles of the reaction mixture.     

Silica-supported Thionyl Chloride-assisted Synthesis and Bioassay of Novel Tetrazinan-3-thione and 3-Oxo-pyrazolidine-4-carbonitrile Derivatives of Steroids

A series of tetrazinan-3-thione and 3-oxo-pyrazolidine-4-carbonitrile derivatives of steroids（1-3） were synthesized with silica-chloride as a heterogeneous catalyst.The synthesized compounds 4-9 were obtained in substantial yields.In vitro evaluation of anticancer and antioxidant activity of the synthesized compounds was carried out via 3-（4,5-dimethylthiazol-2-yl）-2,5-diphenyltetrazolium bromide（MTT） and 1,1-diphenyl-2-picrylhydrazyl（DPPH）assays,respectively.Compound 6 exhibited promising anti-proliferative activity towards a panel of cancer cell lines.The significant activity of compound 6 was further ascertained on structural,molecular modelling and docking studies.This study may provide a valuable insight into the further design and development of more potent biologically active compounds.     

Isolation,characterization and X-ray analysis of Peltophorin from the leaves of Peltophorum vogelianum (Benth.)

The phenanthren skeleton, named as Peltophorin was isolated from methanolic extraction of the leaves of Peltophorum vogelianum. The structure was elucidated on the basis of chemical and physical evidence (IR, UV, ¹H NMR, ¹³C NMR) and further confirmed X-ray analysis.     

Wild Olive Oil as a Novel and Sustainable Feedstock for Biodiesel Production: Overviewed Various Feedstock,Methodologies and Reaction Mechanisms of Different Catalysts

Catalysis Surveys from Asia - The over-consumption of petroleum fuel due to the progressive increase in population, transportation, industrialization, modernization as well as improvement in the...     

Synthesis,characterization, cytotoxicity,and molecular docking studies of ampyrone-based transition metal complexes

Transition Metal Chemistry - A novel series of mononuclear transition metal complexes, [Cu(L)Cl] 1, [Zn(L)Cl] 2, [Pd(L)Cl] 3, [Cd(L)I] 4, [Pt(L)Cl] 5, and [Hg(L)Cl] 6, was constructed from a...     

Author Correction to: In silico studies of novel scaffold of thiazolidin-4-one derivatives as anti-Toxoplasma gondii agents by 2D/3D-QSAR,molecular docking,and molecular dynamics simulations

Structural Chemistry - The authors regret that the Acknowledgments of the original version of this article was incorrect.