Dual synergistic inhibition of COX and LOX by potential chemicals from Indian daily spices investigated through detailed computational studies
Abstract Cyclooxygenase (COX) and Lipoxygenase (LOX) are essential enzymes for
arachidonic acid (AA) to eicosanoids conversion. These AA-derived eicosanoids are …
arachidonic acid (AA) to eicosanoids conversion. These AA-derived eicosanoids are …
Synthesis and biological evaluation of 4-dimethylaminobenzaldehyde derivatives of Schiff bases metal complexes: A review
Schiff bases are considered as valuable compounds because of their versatility in the field of
medicine and pharmaceuticals. A new Schiff base was formed by condensation of 4 …
medicine and pharmaceuticals. A new Schiff base was formed by condensation of 4 …
[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 …
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 …
Antibacterial potential of trihydroxycyclohexa-2, 4-diene-1-carboxylic acid: Insight from DFT, molecular docking, and molecular dynamic simulation
Abstract In this study,(z)-5-((3-(2, 3-dihydroxyphenyl) acryloyl) oxy)-1, 3, 4-
trihydroxycyclohexa-2, 4-diene-1-carboxylic acid (chlorogenic acid) was isolated and …
trihydroxycyclohexa-2, 4-diene-1-carboxylic acid (chlorogenic acid) was isolated and …
Computational Investigations for Identification of Bioactive Molecules from Baccaurea ramiflora and Bergenia ciliata as Inhibitors of SARS-CoV-2 Mpro
In this study, a hybrid compound library of 72 phytocompounds from two antiviral medicinal
plants (Baccaurea ramiflora and Bergenia ciliata) was computationally investigated for their …
plants (Baccaurea ramiflora and Bergenia ciliata) was computationally investigated for their …
[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 …
Metal complexes of a new azo ligand 2-[2′-(5-nitrothiazolyl) azo]-4-methoxyphenol (NTAMP): Synthesis, spectral characterization, and theoretical calculation
Abstract A new ligand 2-[2′-(5-Nitrothiazolyl) azo]-4-methoxyphenol (NTAMP) was
synthesized using the coupling reaction between 2-amino-5-nitrothiazole and 4 …
synthesized using the coupling reaction between 2-amino-5-nitrothiazole and 4 …
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) …
An experimental and theoretical study of a new sensitive and selective Al3+ Schiff base fluorescent chemosensor bearing a homopiperazine moiety
M Abdollahi-Moghadam, H Keypour… - Journal of Molecular …, 2023 - Elsevier
Schiff base ligands can be considered key to designing fluorescent chemosensors due to
their chromogenic properties. Here, we study this view and demonstrate that there is a …
their chromogenic properties. Here, we study this view and demonstrate that there is a …