(E)-2-((3-nitrophenyl) diazenyl)-3-oxo-3-phenylpropanal: experimental, DFT studies, and molecular docking investigations
In 2019 alone, the WHO declared about 325 million people worldwide to be infected with
hepatitis, resulting to mortality of about 1.4 million annually. In this study the potential of (E)-2 …
hepatitis, resulting to mortality of about 1.4 million annually. In this study the potential of (E)-2 …
[HTML][HTML] Molecular modeling and DFT studies of diazenylphenyl derivatives as a potential HBV and HCV antiviral agents
The need for novel antiviral drug particularly for hepatitis B (HBV) and C (HCV) virus cannot
be over emphasized hence, this work focuses on the stability and intermolecular interaction …
be over emphasized hence, this work focuses on the stability and intermolecular interaction …
Antitubercolusic potential of amino-(formylphenyl) diazenyl-hydroxyl and nitro-substituted naphthalene-sulfonic acid derivatives: experimental and theoretical …
Tuberculosis (TB) is a long-term infection caused by the bacteria Mycobacterium
tuberculosis, which continues to kill more people each year than any other infectious illness …
tuberculosis, which continues to kill more people each year than any other infectious illness …
Hydrazineylidene‐3‐oxopropanal derivatives as antiviral agents for treatment of HBV and HCV: experimental, DFT, and molecular docking studies
In this study, two derivatives of hydrazineylidene‐3‐oxopropanal: chlorophenyl (CPHO) and
Nitrophenyl (NPHO) substituted hydrazineylidene compounds were synthesized …
Nitrophenyl (NPHO) substituted hydrazineylidene compounds were synthesized …
[HTML][HTML] Synthesis, antibacterial, antifungal and computational study of (E)-4-(3-(2, 3-dihydrobenzo [b][1, 4] dioxin-6-yl)-3-oxoprop-1-en-1-yl) benzonitrile
RA Shinde, VA Adole, RS Shinde, BS Desale… - Results in …, 2022 - Elsevier
In the present work, synthesis, antibacterial, antifungal and computational study of
synthesized (E)-4-(3-(2, 3-dihydrobenzo [b][1, 4] dioxin-6-yl)-3-oxoprop-1-en-1-yl) …
synthesized (E)-4-(3-(2, 3-dihydrobenzo [b][1, 4] dioxin-6-yl)-3-oxoprop-1-en-1-yl) …
Spectroscopic study, Hirshfeld surface, DFT, in-silico molecular docking and ADMET studies of 2, 6-bis (4-chlorophenyl)-3-isopropylpiperidin-4-one (BCIP): a potent …
A Ramalingam, S Sambandam, H Louis… - Journal of Molecular …, 2023 - Elsevier
In this present study, the possibility of using 2, 6-bis (4-chlorophenyl)-3-isopropylpiperidin-4-
one (BCIP) as an antiviral agent against HIV was carefully evaluated. In order to achieve …
one (BCIP) as an antiviral agent against HIV was carefully evaluated. In order to achieve …
One-pot synthesis, NMR, quantum chemical approach, molecular docking studies, drug-likeness and in-silico ADMET prediction of novel 1-(2, 3-dihydrobenzo [b][1, 4] …
D Rajaraman, LA Anthony, P Nethaji… - Journal of Molecular …, 2023 - Elsevier
A novel drug to treat SARS-CoV-2 infections and hydroxyl chloroquine analogue, 1-(2, 3-
dihydrobenzo [b][1, 4] dioxin-6-yl)-2-(furan-2-yl)-4, 5-diphenyl-1H-imidazole (DDFDI) …
dihydrobenzo [b][1, 4] dioxin-6-yl)-2-(furan-2-yl)-4, 5-diphenyl-1H-imidazole (DDFDI) …
[HTML][HTML] Molecular modeling, DFT studies and biological evaluation of methyl 2, 8-dichloro-1, 2-dihydroquinoline-3-carboxylate
The need for Novel antimicrobial drugs aim at combating the essential elements of bacterial
metabolism including cell walls, DNA gyrase, DNA-directed RNA polymerase, protein …
metabolism including cell walls, DNA gyrase, DNA-directed RNA polymerase, protein …
Synthesis, spectroscopic characterizations and quantum chemical computational studies of (Z)-4-[(E)-(4-fluorophenyl) diazenyl]-6-[(3-hydroxypropylamino) methylene] …
In this study, the molecular structure and spectroscopic properties of the title compound were
characterized by X-ray diffraction, FT-IR and UV–vis spectroscopies. These properties were …
characterized by X-ray diffraction, FT-IR and UV–vis spectroscopies. These properties were …
Investigation of Some Antiviral N-Heterocycles as COVID 19 Drug: Molecular Docking and DFT Calculations
The novel coronavirus, COVID-19, caused by SARS-CoV-2, is a global health pandemic that
started in December 2019. The effective drug target among coronaviruses is the main …
started in December 2019. The effective drug target among coronaviruses is the main …