An In-Silico Drug Designing Approach Attempted on a Newly Synthesized Co(II) Complex along with its Other Biological Activities: A Combined Investigation of both Experimental and Theoretical Aspects DOI
Sudarshan Pradhan, Dipu Kumar Mishra, Pritika Gurung

и другие.

Journal of Fluorescence, Год журнала: 2024, Номер unknown

Опубликована: Июль 20, 2024

Язык: Английский

Hydrothermal Synthesis, Crystal Structure, and Thermal Studies of CuSb6O8(SO4)2 and Its Applications toward Dye Management, Hydrogen Evolution Reaction, and Antibacterial Studies DOI

Sangita Das,

Sayantani Paul,

Debojyoti Kundu

и другие.

Inorganic Chemistry, Год журнала: 2025, Номер unknown

Опубликована: Апрель 15, 2025

Single crystals of a monophasic layered copper antimony oxy-sulfate, CuSb6O8(SO4)2, have been grown by the hydrothermal technique. SCXRD study reveals that it crystallizes in triclinic symmetry (SG: P1̅) and is comprised [SO4] tetrahedra, [SbO4E] trigonal bipyramids, [CuO4] square planar moieties. No structural phase transition was observed even upon lowering temperature up to 100 K. The structure consists [(CuO4)Sb2O5]n-[Sb2O7(SO4)]n layers along [001] connected each other through weak nonbonding interactions via oxygens tetrahedron atoms adjacent layer. It demonstrates high photocatalytic dye degradation efficiency, achieving 94.68 94.72% Methylene blue Rhodamine B presence 0.1 mL H2O2, respectively, with recyclability sixth cycle >90% efficiency. also exhibits excellent HER activity low overpotential 111 mV at 10 mA/cm2 Tafel slope 157 mV/dec 1 M KOH. compound strong antibacterial against several Gram-positive Gram-negative bacteria as investigated agar well diffusion method. TG-DTA shows good thermal stability decomposition above 273 °C. purity its consistency after photocatalysis were confirmed PXRD analysis.

Язык: Английский

Процитировано

0
Investigation of DNA Binding and Antibacterial Properties of a Zn(II) Complex with an N2OS Salophen-type Ligand DOI
Sudarshan Pradhan, Pritika Gurung, Anmol Chettri

и другие.

Journal of Molecular Structure, Год журнала: 2025, Номер unknown, С. 142431 - 142431

Опубликована: Апрель 1, 2025

Язык: Английский

Процитировано

0
Synthesis of HER-capable cobalt metal organic framework using a straightforward reflux method and a thorough spectroscopic and theoretical analysis DOI
Sudarshan Pradhan, Pritika Gurung, Anmol Chettri

и другие.

Journal of the Indian Chemical Society, Год журнала: 2024, Номер 101(6), С. 101166 - 101166

Опубликована: Апрель 30, 2024

Язык: Английский

Процитировано

2
A new amino functionalized thio-modified β-cyclodextrin based ligand and its Fe(III) complex with physico‑chemical and antibacterial activity: an integrated experimental and computational investigation DOI
Pritika Gurung,

Ananya Das,

Sudarshan Pradhan

и другие.

Journal of Inclusion Phenomena and Macrocyclic Chemistry, Год журнала: 2024, Номер unknown

Опубликована: Июнь 10, 2024

Язык: Английский

Процитировано

2
Comparative linkage of novel anti-tumor Pd(II) complex with two bio- macromulecules: fluorescence, UV-Vis, DFT, molecular docking and molecular dynamics simulation studies DOI

Ashraf Sadat Dorafshan Tabatabai,

Effat Dehghanian

Research Square (Research Square), Год журнала: 2024, Номер unknown

Опубликована: Май 2, 2024

Abstract A novel mononuclear palladium complex, [Pd(dach)(SSA)], where dach and SSA are diaminocyclohexane sulfosalicylic acid ligands, respectively, has been synthesized identified utilizing analytical spectral methods. DFT calculations, namely geometry optimization, MEP, HOMO-LUMO NBO analysis, have conducted at B3LYP level by aug-ccpVTZ-PP 6-311G(d,p) basis sets. By employing MTT assay, the cytotoxicity activity of aforesaid compound was examined on K562 cell line, which revealed a proper compared to cisplatin. To ascertain lipophilicity newly made compound, partition coefficient measurement accomplished, follows order cisplatin < Pd(II) complex. Next, investigation binding properties studied with DNA calf thymus BSA were done spectroscopic (CD, fluorescence emission electronic adsorption) non-spectroscopic (viscosity measurements, gel electrophoresis, molecular docking dynamics simulation) Data obtained from UV-Vis studies indicate non–intercalative mutual action. Fluorescence quenching mechanism two biomolecules metal complex is static calculated thermodynamic parameters suggests hydrogen bonding BSA. Further, simulation indicated that fits into groove site I. The stability compound-DNA/-BSA in presence H2O solvent over time validated via simulation.

Язык: Английский

Процитировано

1
Comparative Linkage of Novel Anti-Tumor Pd(II) Complex with Bio-Macromulecules: Fluorescence, UV-Vis, DFT, Molecular Docking and Molecular Dynamics Simulation Studies DOI

Ashraf Sadat Dorafshan Tabatabai,

Effat Dehghanian, Hassan Mansouri‐Torshizi

и другие.

Journal of Fluorescence, Год журнала: 2024, Номер unknown

Опубликована: Июль 5, 2024

Язык: Английский

Процитировано

1
An In-Silico Drug Designing Approach Attempted on a Newly Synthesized Co(II) Complex along with its Other Biological Activities: A Combined Investigation of both Experimental and Theoretical Aspects DOI
Sudarshan Pradhan, Dipu Kumar Mishra, Pritika Gurung

и другие.

Journal of Fluorescence, Год журнала: 2024, Номер unknown

Опубликована: Июль 20, 2024

Язык: Английский

Процитировано

0