Exploring the new potential antiviral constituents of Moringa oliefera for SARS-COV-2 pathogenesis: An in silico molecular docking and dynamic studies
S Muhammad, SH Hassan, AG Al-Sehemi… - Chemical physics …, 2021 - Elsevier
The interactions of two crucial proteins of COVID-19 have been investigated with potential
antiviral compounds from Moringa oliefera using quantum chemical, molecular docking and …
antiviral compounds from Moringa oliefera using quantum chemical, molecular docking and …
P2Y12 antagonists: Approved drugs, potential naturally isolated and synthesised compounds, and related in-silico studies
P2Y 12 is a platelet surface protein which is responsible for the amplification of P2Y 1
response. It plays a crucial role in platelet aggregation and thrombus formation through an …
response. It plays a crucial role in platelet aggregation and thrombus formation through an …
Evaluation of the Antioxidant, Antidiabetic, and Antiplasmodial Activities of Xanthones Isolated from Garcinia forbesii and Their In Silico Studies
This study aimed to isolate xanthones from Garcinia forbesii and evaluated their activity in
vitro and in silico. The isolated compounds were evaluated for their antioxidant activity by …
vitro and in silico. The isolated compounds were evaluated for their antioxidant activity by …
ADMET properties of novel 5-O-benzoylpinostrobin derivatives
MRF Pratama, H Poerwono… - Journal of Basic and …, 2019 - degruyter.com
Background Prediction of the properties of absorption, distribution, metabolism, excretion,
and toxicity (ADMET) from a compound is essential, especially for modified novel …
and toxicity (ADMET) from a compound is essential, especially for modified novel …
[PDF][PDF] In silico investigation on the beneficial effects of medicinal plants on diabetes and obesity: molecular docking, molecular dynamic simulations, and ADMET …
Currently, obesity leads to health problems, including type 2 diabetes. These two diseases
are closely linked. Despite the spectacular development of the synthesis of active …
are closely linked. Despite the spectacular development of the synthesis of active …
Valeriana pilosa Roots Essential Oil: Chemical Composition, Antioxidant Activities, and Molecular Docking Studies on Enzymes Involved in Redox Biological …
P Minchán-Herrera, RO Ybañez-Julca, IM Quispe-Díaz… - Antioxidants, 2022 - mdpi.com
Valeriana pilosa is usually employed in Peruvian folk medicine in the form of infusion to treat
stomach pain, and has antispasmodic, relaxing, sleep-promoting, and sedative properties …
stomach pain, and has antispasmodic, relaxing, sleep-promoting, and sedative properties …
Rational Design of Multifunctional Ferulic Acid Derivatives Aimed for Alzheimer's and Parkinson's Diseases
Ferulic acid has numerous beneficial effects on human health, which are frequently
attributed to its antioxidant behavior. In this report, many of them are reviewed, and 185 new …
attributed to its antioxidant behavior. In this report, many of them are reviewed, and 185 new …
[HTML][HTML] Phytochemical compound screening to identify novel small molecules against dengue virus: a docking and dynamics study
The spread of the Dengue virus over the world, as well as multiple outbreaks of different
serotypes, has resulted in a large number of deaths and a medical emergency, as no viable …
serotypes, has resulted in a large number of deaths and a medical emergency, as no viable …
Molecular structure, light harvesting effect, electronic, topological behavior and molecular docking and molecular dynamic simulation of (Z)-1-(4-chlorophenyl)-3-(3-(E)-3-(4 …
A KV, H Rajagopal, VS Jeba Reeda… - Spectroscopy …, 2024 - Taylor & Francis
Abstract (Z)-1-(4-chlorophenyl)-3-(3-((E)-3-(4-chlorophenyl)-3-oxoprop-1-en-1-yl) phenyl)
prop-2-en-1-one (CCOP) has been explored through both experimental and theoretical …
prop-2-en-1-one (CCOP) has been explored through both experimental and theoretical …
Design, synthesis and antifungal activity of new schiff bases bearing 2-aminothiophene derivatives obtained by molecular simplification
IS Luna, WW Neves, RG Lima-Neto… - Journal of the Brazilian …, 2021 - SciELO Brasil
Seventeen Schiff bases bearing 2-aminothiophene derivatives were designed and
synthesized using molecular simplification. The resulting compounds (4a-4q) were …
synthesized using molecular simplification. The resulting compounds (4a-4q) were …