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Molecular Insights of Marine Algal Polycyclic Aromatic Compounds as Promising Anti-Viral Agents for Targeting SARS-CoV-2 Proteins - an in Silico Validation

期刊: POLYCYCLIC AROMATIC COMPOUNDS, 2023; ()

In this study, in silico SARS-CoV-2 inhibitory potential of 19 marine algal polycyclic aromatic compounds plus three commercial anti-viral drug were v......

Organocatalytic [3+2] Cycloaddition Reaction: Synthesis of Fully Decorated Sulfonyl-1,2,3-Triazolyl Pyrimidines as Potent Anticancer and EGFR Inhibitors

期刊: POLYCYCLIC AROMATIC COMPOUNDS, 2023; ()

A general strategy was developed for the synthesis of new fully decorated sulfonyl1,2,3-triazolyl pyrimidines (6a-6j and 8a-8f) from 2-((6-methyl-2-(m......

Anti Microbial Activity, Vibrational, Electronic and Topology Analysis of 3, 4, 5-Trimethoxybenzaldehyde

期刊: POLYCYCLIC AROMATIC COMPOUNDS, 2023; ()

The density functional theory (DFT) approach has become one of the most gainful means to scrutinize the molecular structure and vibrational spectra ar......

Synthesis, Structural, Spectral Studies and Activity Studies of 6-Methyl-4-(3-Nitro-Phenyl)-2-Oxo-1,2,3,4 Tetrahydropyrimidine-5-Carboxylic Acid Ethyl Ester Catalyzed Using BF3-OEt2

期刊: POLYCYCLIC AROMATIC COMPOUNDS, 2023; ()

Amide compounds exhibit tautomerism which is an important property in organic synthesis. Evidence for the occurrence of tautomeric forms for amido-imi......

New MCRs: Preparation of Novel Derivatives of Pyrazoloazepines in Ionic Liquid and Study of Biological Activity

期刊: POLYCYCLIC AROMATIC COMPOUNDS, 2023; ()

In the present investigation, we have effectively synthesized innovative pyrazoloazepine derivatives with notable yields. The synthesis was successful......

Computational and Experimental Investigation of Antibacterial Properties of Some Fluorinated Thioureas

期刊: POLYCYCLIC AROMATIC COMPOUNDS, 2023; ()

Herein, fluorinated thioureas with various substituents (F1-F3) were synthesized and characterized spectroscopically and analytically to investigate t......

Computational Analysis on Molecular Stability and Binding Affinity of 3-(Aminothiazolyl)Quinolone Derivative as Multitargeting Antibacterial Agents through Ab Initio Methods and Molecular Docking

期刊: POLYCYCLIC AROMATIC COMPOUNDS, 2023; ()

The present study deals with the application of ab initio method using density functional theory (DFT) at M06-2X/6-311++G(d,p) to characterize the con......

Efficient and Greener Synthesis of Functionalized Isoniazid Azomethines from Aromatic Aldehydes and Isatins Using Citric Acid in Aqueous Ethanol

期刊: POLYCYCLIC AROMATIC COMPOUNDS, 2023; 43 (1)

Citric acid was discovered as an efficient catalyst for the rapid synthesis of pharmacologically important isoniazid azomethines by condensation of ar......

Investigation of Polycyclic Aromatic Hydrocarbons (PAHs) Uptake by Cucurbita pepo under Exhaust Gas Loading

期刊: POLYCYCLIC AROMATIC COMPOUNDS, 2023; 43 (3)

It was aimed to compare the uptake of PAHs (Polycyclic aromatic hydrocarbon) by Cucurbita pepo fruits exposed to exhaust gas or not in a greenhouse ch......

On counting polynomials of certain classes of polycyclic aromatic hydrocarbons

期刊: POLYCYCLIC AROMATIC COMPOUNDS, 2023; 43 (5)

Polya was the first to establish the concept of a counting polynomial in chemistry. Despite the fact that the spectra of the characteristic polynomial......

Eco-Friendly Conversion of p-Nitrophenol into p-Aminophenol Using Calix[4]arene Derived CuO Nanoparticles: An Excellent Catalytic Agent

期刊: POLYCYCLIC AROMATIC COMPOUNDS, 2023; 43 (6)

p-Aminophenol is an important organic molecule which is widely used in pharmaceutical as well as in dye industries for the synthesis of various drugs ......

Computation of Neighborhood M-Polynomial of Three Classes of Polycyclic Aromatic Hydrocarbons

期刊: POLYCYCLIC AROMATIC COMPOUNDS, 2023; 43 (6)

Chemical graph theory is a branch of mathematical chemistry that significantly affects the development of the chemical sciences. The neighborhood M-po......

Green Synthesis and Study of Biological Activity of New Benzopyrimidoazepines: Reduction of Organic Pollutants Using Synthesized Fe3O4/TiO2/CuO@MWCNTs MNCs

期刊: POLYCYCLIC AROMATIC COMPOUNDS, 2023; 43 (7)

In this work rhizome of Petasites hybridus was used for preparing water extract and utilized as green media for generating Fe3O4/TiO2/CuO@ Multi-Walle......

Novel Indoline Spiro Derivatives As Anticancer Agents; Design, Synthesis, Molecular Docking Studies, and ADME Evaluation

期刊: POLYCYCLIC AROMATIC COMPOUNDS, 2023; 43 (8)

Under catalyst-free conditions, an environmentally friendly synthesis of a class of spiropyrane, spiropyranopyrazole, spirobenzofurane, spirobenzofuro......

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