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Promising Schiff bases in antiviral drug design and discovery
Emerging and re-emerging illnesses will probably present a new hazard of infectious
diseases and have fostered the urge to research new antiviral agents. Most of the antiviral …
diseases and have fostered the urge to research new antiviral agents. Most of the antiviral …
Computational investigations of three main drugs and their comparison with synthesized compounds as potent inhibitors of SARS-CoV-2 main protease (Mpro): DFT …
In this study, we examined five previously synthesized compounds and checked their
binding affinity towards the SARS-CoV-2 main protease (Mpro) by molecular docking study …
binding affinity towards the SARS-CoV-2 main protease (Mpro) by molecular docking study …
[HTML][HTML] In silico studies on phytochemicals to combat the emerging COVID-19 infection
The current COVID-19 pandemic, caused by the severe acute respiratory syndrome
coronavirus-2 (SARS-CoV-2) and its variants, remains a serious health hazard globally. The …
coronavirus-2 (SARS-CoV-2) and its variants, remains a serious health hazard globally. The …
[HTML][HTML] Repurposing benzimidazole and benzothiazole derivatives as potential inhibitors of SARS-CoV-2: DFT, QSAR, molecular docking, molecular dynamics …
Abstract Density Functional Theory (DFT) and Quantitative Structure-Activity Relationship
(QSAR) studies were performed on four benzimidazoles (compounds 1–4) and two …
(QSAR) studies were performed on four benzimidazoles (compounds 1–4) and two …
Synthesis, structural investigations, XRD, DFT, anticancer and molecular docking study of a series of thiazole based Schiff base metal complexes
A novel Schiff base (SB) ligand, abbreviated as HDMPM, resulted from the condensation of
2-amino-4-phenyl-5-methyl thiazole and 4-(diethylamino) salicyaldehyde, and its metal …
2-amino-4-phenyl-5-methyl thiazole and 4-(diethylamino) salicyaldehyde, and its metal …
DFT, anticancer, antioxidant and molecular docking investigations of some ternary Ni (II) complexes with 2-[(E)-[4-(dimethylamino) phenyl] methyleneamino] phenol
The biological activities of some ternary nickel complexes with a Schiff base obtained from 4-
dimethylaminobenzaldehyde and 2-aminophenol have been reported. The Schiff base (HL …
dimethylaminobenzaldehyde and 2-aminophenol have been reported. The Schiff base (HL …
[HTML][HTML] Molecular docking, drug-likeness and DFT study of some modified tetrahydrocurcumins as potential anticancer agents
The present study utilized molecular docking and density functional theory (DFT)
approaches, and ADMET (absorption, distribution, metabolism, excretion, and toxicity) …
approaches, and ADMET (absorption, distribution, metabolism, excretion, and toxicity) …
Metal complexes of Tridentate Schiff base: Synthesis, characterization, biological activity and molecular docking studies with COVID‐19 protein receptor
GG Mohamed, MM Omar… - … für anorganische und …, 2021 - Wiley Online Library
Mononuclear chelates of Cr (III), Mn (II), Fe (III), Ni (II), Cu (II), Zn (II) and Cd (II) resulted from
new tridentate Schiff base ligand, 4‐((1‐(5‐acetyl‐2, 4‐dihydroxyphenyl) ethylidene) amino) …
new tridentate Schiff base ligand, 4‐((1‐(5‐acetyl‐2, 4‐dihydroxyphenyl) ethylidene) amino) …
Synthesis and characterization of some binuclear metal complexes with a pentadentate azodye ligand: an experimental and theoretical study
AK Sarangi, BB Mahapatra… - Applied …, 2020 - Wiley Online Library
A novel series of binuclear complexes with Mn (II), Co (II), Ni (II), Cu (II), Zn (II), and Cd (II)
ions derived from a pentadentate azo dye ligand (H3L) was synthesized and structurally …
ions derived from a pentadentate azo dye ligand (H3L) was synthesized and structurally …
Mixed-ligand complexes of ampicillin derived Schiff base ligand and Nicotinamide: Synthesis, physico-chemical studies, DFT calculation, antibacterial study and …
A novel series of mixed-ligand complexes of the type,[ML 1 (L 2) 3] Cl x [M= Cr (III), Fe (III),
Co (II), Ni (II), Cu (II), Cd (II) and Hg (II), n= 2, 3], was synthesized using Schiff base (HL 1) as …
Co (II), Ni (II), Cu (II), Cd (II) and Hg (II), n= 2, 3], was synthesized using Schiff base (HL 1) as …