Applications of density functional theory in COVID-19 drug modeling
The rapidly evolving Coronavirus 2019 (COVID-19) pandemic has led to millions of deaths
around the world, highlighting the pressing need to develop effective antiviral …
around the world, highlighting the pressing need to develop effective antiviral …
Cobalt (II), nickel (II), copper (II) and zinc (II) complexes of thiadiazole based Schiff base ligands: Synthesis, structural characterization, DFT, antidiabetic and molecular …
A new series of transition metal complexes of type [M (L 1-3)(H 2 O)(CH 3 COO)] where, M=
Co (II), Ni (II), Cu (II) & Zn (II), and L 1= 2-(((1, 3, 4-thiadiazol-2-yl) imino) methyl)-6 …
Co (II), Ni (II), Cu (II) & Zn (II), and L 1= 2-(((1, 3, 4-thiadiazol-2-yl) imino) methyl)-6 …
Synthesis, in vitro bio-evaluation, and molecular docking study of thiosemicarbazone-based isatin/bis-Schiff base hybrid analogues as effective cholinesterase …
Analogues of isatin/bis-Schiff bases based on thiocarbohydrazone (1–16) were synthesized,
characterised using various methods like NMR and HR-ESI-MS, and then tested against the …
characterised using various methods like NMR and HR-ESI-MS, and then tested against the …
A Comprehensive survey on the expediated anti-COVID-19 options enabled by metal complexes—Tasks and trials
J Gopal, M Muthu, I Sivanesan - Molecules, 2023 - mdpi.com
Contemporary pharmacology dating back to the late 19th/early 20th centuries has benefitted
largely from the incorporation of metal complexes. Various biological attributes have been …
largely from the incorporation of metal complexes. Various biological attributes have been …
Tailoring of some novel bis-hydrazone metal chelates, spectral based characterization and DFT calculations for pharmaceutical applications and in-silico treatments …
HA Qasem, MR Aouad, HA Al-Abdulkarim… - Journal of Molecular …, 2022 - Elsevier
A series of new bis-hydrazone complexes was obtained from ((N'E, N'''E)-2, 2′-(1, 3-
phenylenebis (oxy)) bis (N'-(4, 5-di-tert-butyl-2-hydroxybenzylidene) acetohydrazide)) ligand …
phenylenebis (oxy)) bis (N'-(4, 5-di-tert-butyl-2-hydroxybenzylidene) acetohydrazide)) ligand …
Synthesis, characterization, DNA binding, and biological action of dimedone arylhydrazone chelates
MA El‐Bindary, AA El‐Bindary - Applied Organometallic …, 2022 - Wiley Online Library
A chain of metal (II) chelates that M= Co2+, Ni2+, and Cu2+ have been produced from 2‐(4‐
sulfadiazine) hydrazono dimedone (HL) and characterized on analyses of elemental …
sulfadiazine) hydrazono dimedone (HL) and characterized on analyses of elemental …
Development of metal complexes for treatment of coronaviruses
Coronavirus disease (SARS-CoV-2) is a global epidemic. This pandemic, which has been
linked to high rates of death, has forced some countries throughout the world to implement …
linked to high rates of death, has forced some countries throughout the world to implement …
Design, structural inspection of new bis (1H-benzo [d] imidazol-2-yl) methanone complexes: biomedical applications and theoretical implementations via DFT and …
FS Aljohani, OA Omran, EA Ahmed, ES Al-Farraj… - Inorganic Chemistry …, 2023 - Elsevier
In the present study, a novel bis (1H-benzo [d] imidazol-2-yl) methanone (H 2 L) ligand
derived from the interaction of 1, 2-phenylenediamine with diethyl 2-bromomalonate and its …
derived from the interaction of 1, 2-phenylenediamine with diethyl 2-bromomalonate and its …
Novel isatin-based complexes of Mn (II) and Cu (II) ions: characterization, homogeneous catalysts for sulfides oxidation, bioactivity screening and theoretical …
MSS Adam, MM Makhlouf, A Alharbi… - Journal of Molecular …, 2022 - Elsevier
Two mononuclear manganese (II) and copper (II) complexes were prepared from the
coordination of 3, 5-di-tert-butyl isatin hydrazone derivative (HLOEt) with either 2: 1 or 1: 1 M …
coordination of 3, 5-di-tert-butyl isatin hydrazone derivative (HLOEt) with either 2: 1 or 1: 1 M …
Novel organoselenium-based N-mealanilic acid and its zinc (II) chelate: Catalytic, anticancer, antimicrobial, antioxidant, and computational assessments
S Shaaban, MSS Adam, NM El-Metwaly - Journal of Molecular Liquids, 2022 - Elsevier
Herein we report the synthesis of two novel Zn (II)-complexes (Zn (LgSe) 2 and Zn (Lg) 2)
starting from 4-((4-(methylselanyl) phenyl) amino)-4-oxobut-2-enoic acid (HLgSe) and 4-oxo …
starting from 4-((4-(methylselanyl) phenyl) amino)-4-oxobut-2-enoic acid (HLgSe) and 4-oxo …