[HTML][HTML] Structural benchmarking, density functional theory simulation, spectroscopic investigation and molecular docking of N-(1H-pyrrol-2-yl) methylene)-4 …
Prostate cancer that is resistant to castration has been a prominent health challenge in the
lives of men, particularly older men. This study looks at the spectroscopic properties, density …
lives of men, particularly older men. This study looks at the spectroscopic properties, density …
Antimalarial potential of naphthalene-sulfonic acid derivatives: Molecular electronic properties, vibrational assignments, and in-silico molecular docking studies
The need to discover, design and develop novel anti-malaria agent that are capable of
treating and providing prophylaxis cover for malaria infections has become paramount …
treating and providing prophylaxis cover for malaria infections has become paramount …
Effects of rosmarinic acid, carnosic acid, rosmanol, carnosol, and ursolic acid on the pathogenesis of respiratory diseases
This review aimed to identify preclinical and clinical studies examining the effects of
rosmarinic acid (RA), carnosic acid (CaA), rosmanol (RO), carnosol (CA), and ursolic acid …
rosmarinic acid (RA), carnosic acid (CaA), rosmanol (RO), carnosol (CA), and ursolic acid …
Molecular modeling of the spectroscopic, structural, and bioactive potential of tetrahydropalmatine: insight from experimental and theoretical approach
Tetrahydropalmatine have been experimentally reported to have promising biological
applications, although detailed theoretical investigation on its structural activities regarding …
applications, although detailed theoretical investigation on its structural activities regarding …
[HTML][HTML] The Assessment of Anticancer and VEGFR-2 Inhibitory Activities of a New 1H-Indole Derivative: In Silico and In Vitro Approaches
Corresponding to the reported features of anti-VEGFR-2-approved compounds, a new 1 H-
indole derivative (compound 7) was designed. The inhibitory potential of the designed …
indole derivative (compound 7) was designed. The inhibitory potential of the designed …
Experimental and computational modeling of the biological activity of benzaldehyde sulphur trioxide as a potential drug for the treatment of Alzheimer disease
Alzheimer's disease is a major public brain infection that has resulted in many deaths as
revealed by the world health organization (WHO). Conventional Alzheimer treatments such …
revealed by the world health organization (WHO). Conventional Alzheimer treatments such …
Computational study on the interactions of functionalized C24NC (NC=C, –OH, –NH2, –COOH, and B) with chloroethylphenylbutanoic acid
Computational chemistry approach based on density functional theory (DFT) was utilized to
investigate the interaction, adsorption behaviour, electronic and structural properties of …
investigate the interaction, adsorption behaviour, electronic and structural properties of …
[HTML][HTML] Adsorption and gas-sensing investigation of oil dissolved gases onto nitrogen and sulfur doped graphene quantum dots
Burning hydrocarbons as fuel, which produces carbon dioxide and water, is a major
contributor to anthropogenic global warming. Hydrocarbons are introduced into the …
contributor to anthropogenic global warming. Hydrocarbons are introduced into the …
Crystal structure analysis, magnetic measurement, DFT studies, and adsorption properties of novel 1-(2, 5-dimethyphenyl) piperazine tetrachlorocobaltate hydrate
Present study focuses on the synthesis, crystal structure analysis, density functional theory
(DFT), and the potential of 1-(2, 5-dimethyphenyl) piperazine tetrachlorocobaltate hydrate (C …
(DFT), and the potential of 1-(2, 5-dimethyphenyl) piperazine tetrachlorocobaltate hydrate (C …
(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 …