Synthesis, crystal structure elucidation, DFT analysis, drug‐likeness and ADMET evaluation and molecular docking studies of triazole derivatives: Binary inhibition of …

S Murugavel, P Vasudevan… - Journal of the …, 2022 - Wiley Online Library
The recent incidence of terrible acute respiratory syndrome coronavirus 2 (SARS CoV‐2)
has presently experienced some noteworthy mutations since its discovery in 2019 in Wuhan …

Synthesis, spectroscopic characterization, density functional theory, molecular docking studies, antioxidant and antimicrobial potential of novel Schiff base macrocyclic …

Mamta, Pinki, Subhash… - Applied Organometallic …, 2023 - Wiley Online Library
The threat of antibiotic resistance to public health is becoming a major cause of mortality on
a worldwide scale. It has stimulated the interest of researchers in the development of novel …

Crystallographic and biophysical analysis of the fusion core from SARS‐CoV‐2 spike protein

CH Hsu - Journal of the Chinese Chemical Society, 2023 - Wiley Online Library
Severe acute respiratory syndrome‐coronavirus 2 (SARS‐CoV‐2) is a newly emerging
infectious pathogen causing coronavirus disease 2019 (COVID‐19). The virus primarily …

Elucidation, cyclic voltammetry, computational studies, and biological activities of Ni (II), Cu (II), Cd (II), and Ce (III) complexes with a water‐soluble …

MA Mohammed, TA Ali, MM Youssef… - Applied …, 2024 - Wiley Online Library
Sodium salt of 4‐hydroxy‐3‐([2‐isonicotinoylhydrazineylidene] methyl) benzenesulfonate
ligand (NaH2IH) was prepared, as an example of water‐soluble Schiff base ligands, by the …

Synthesis, spectroscopic characterization, density functional theory calculations and biological evaluation of novel Cu (II) and Zn (II) Schiff base complexes as …

A Devi, Mamta, A Chaudhary - Research on Chemical Intermediates, 2024 - Springer
The advancement of Schiff base ligands represented a significant breakthrough in the field
of bioinorganic chemistry. The current work involved the synthesis of a novel class of Schiff …

New bioactive titanium (IV) derivatives with their DFT, molecular docking, DNA/BSA interaction, antioxidant and in-vitro investigations

M Subramaniyan, M Pathak - Inorganica Chimica Acta, 2024 - Elsevier
A set of four new metallacyclic complexes titanium (IV) associated with Schiff bases (SBs)(1a-
1d) obtained by the specific reactions of β-diketones such as acetylacetone (acacH) and …

Synthesis, theoretical analysis, and biological properties of a novel tridentate Schiff base palladium (II) complex

S Jahangiry, M Lashanizadegan, PS Pourhosseini… - BioMetals, 2024 - Springer
Schiff base complexes play a crucial role in bioinorganic chemistry. A novel curcumin/
phenylalanine tridentate Schiff base ligand and its palladium (II) complex were synthesized …

Convenient Synthesis and Characterization of Novel Phytosteroid Derivatives and Their DFT, QTAIM, NCI–RDG, and Molecular Docking Study: A Combined …

P Singh, RP Singh, R Prakash, P Rawat… - Russian Journal of …, 2023 - Springer
The synthesis of novel steroid derivatives by the F ring opening in diosgenin in the presence
of BF3∙ OEt2 as a catalyst have been reported. The structural assignment of the synthesized …

Investigations on Novel Schiff Base Octaazamacrocyclic Complexes of Manganese (Ii): Synthesis, Spectroscopic Characterization, Dft, Molecular Docking Studies …

A Chaudhary - papers.ssrn.com
The threat of antibiotic resistance to public health is becoming a major cause of mortality on
a worldwide scale. It has stimulated interest in the study of macrocyclic metal complexes and …