Development of Avian Avulavirus 1 Epitope-Based Vaccine Pattern Based on Epitope Prediction and Molecular Docking Analysis: An Immunoinformatic Approach
Sign Up to like & getrecommendations! Published in 2019 at "International Journal of Peptide Research and Therapeutics"
DOI: 10.1007/s10989-019-09952-x
Abstract: Fusion (F) and Hemagglutinin-neuraminidase (HN) glycoproteins of Newcastle disease virus containing important epitopes play crucial role in stimulation of humoral and cell-mediated immunity of the host. In the present study we analyzed and compared genetic… read more here.
Keywords: docking analysis; epitope; molecular docking; epitope prediction ... See more keywords
Bioevaluation and molecular docking analysis of novel phenylpropanoid derivatives as potent food preservative and anti-microbials
Sign Up to like & getrecommendations! Published in 2021 at "3 Biotech"
DOI: 10.1007/s13205-020-02636-0
Abstract: Novel derivatives were synthesized using natural scaffold, like phenylpropanoids C 6 –C 3 backbone to reduce unfavorable browning of food due to tyrosinase and oxidative spoilage. Most of the compounds displayed mushroom tyrosinase inhibition better… read more here.
Keywords: bioevaluation molecular; docking analysis; anti; tyrosinase ... See more keywords
New prospects for the development of selective inhibitors of α-glucosidase based on coumarin-iminothiazolidinone hybrids: Synthesis, in-vitro biological screening and molecular docking analysis
Sign Up to like & getrecommendations! Published in 2017 at "Journal of The Taiwan Institute of Chemical Engineers"
DOI: 10.1016/j.jtice.2017.09.041
Abstract: Abstract α-Glucosidase inhibitors have extensively been exploited for the effective management of type 2 diabetes and associated complications by significantly reducing the postprandial increase in glucose and plasma insulin levels. In this endeavour, we designed… read more here.
Keywords: analysis; docking analysis; iminothiazolidinone; inhibitors glucosidase ... See more keywords
Insights into the nature of weak noncovalent interactions in 3-(4-fluorophenyl)-6-(2-fluorophenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole, a potential bioactive agent: X-ray, QTAIM and molecular docking analysis
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2019.01.106
Abstract: Abstract A thorough examination of weak interactions present in the crystal structure of the title compound was investigated. Intramolecular C H⋯N and F⋯S interactions make the molecule as fused 6,5,5,5,6,6-membered ring system. Two of the… read more here.
Keywords: insights nature; molecular docking; title compound; docking analysis ... See more keywords
La-Doped CeO2 Quantum Dots: Novel Dye Degrader, Antibacterial Activity, and In Silico Molecular Docking Analysis
Sign Up to like & getrecommendations! Published in 2023 at "ACS Omega"
DOI: 10.1021/acsomega.2c07753
Abstract: The current work demonstrates a novel synthesis of different concentrations of La-doped (2, 4, and 6 wt %) CeO2 quantum dots (QDs) using a hydrothermal approach. This research aimed to examine the dye degradation efficiency,… read more here.
Keywords: molecular docking; docking analysis; antibacterial activity; activity ... See more keywords
Molecular docking analysis and evaluation of the antibacterial and antioxidant activities of the constituents of Ocimum cufodontii
Sign Up to like & getrecommendations! Published in 2021 at "Scientific Reports"
DOI: 10.1038/s41598-021-89557-x
Abstract: Ocimum cufodontii ((Lanza) A.J.Paton) has been traditionally used in Ethiopia against bacteria. The extracts of the leaves and roots of O. cufodontii after silica gel column chromatography furnished compounds 1–5, compounds 3 and 4 are… read more here.
Keywords: antioxidant activities; docking analysis; analysis evaluation; molecular docking ... See more keywords
In vitro cytogenotoxic evaluation of aripiprazole on human peripheral lymphocytes and computational molecular docking analysis.
Sign Up to like & getrecommendations! Published in 2022 at "Drug and chemical toxicology"
DOI: 10.1080/01480545.2022.2135008
Abstract: Two different drug groups, typical (classic) and atypical (new), are used in the treatment of schizophrenia. Aripiprazole, an atypical antipsychotic chemical, is the active ingredient of the drug Abilify. This study was conducted to determine… read more here.
Keywords: molecular docking; docking analysis; human peripheral; aripiprazole ... See more keywords
Elucidating the binding and inhibitory potential of p-coumaric acid against amyloid fibrillation and their cytotoxicity: Biophysical and docking analysis.
Sign Up to like & getrecommendations! Published in 2022 at "Biophysical chemistry"
DOI: 10.2139/ssrn.4048094
Abstract: P-Coumaric acid (p-CA) is a plant metabolite with anti-inflammatory and antioxidant effects. Due to its therapeutic potential, p-CA has attracted much attention from the scientific community lately. Oxidative stress, amyloid formation, and impaired proteasomal degradation… read more here.
Keywords: docking analysis; coumaric acid; lysozyme; cytotoxicity ... See more keywords
In vitro and Molecular Docking Analysis of Quercetin as an Anti-Inflammatory and Antioxidant.
Sign Up to like & getrecommendations! Published in 2023 at "Current pharmaceutical design"
DOI: 10.2174/1381612829666230330084043
Abstract: INTRODUCTION Quercetin (3,3',4',5,7-pentahydroxyflavone) is a dietary flavonoid with good antioxidant and anti-inflammatory properties. The present study aims to determine these effects in peripheral blood mononuclear cells (PBMCs) evoked by lipopolysaccharides (LPS). METHODS The mRNA expression… read more here.
Keywords: molecular docking; docking analysis; anti inflammatory; inflammatory ... See more keywords
Molecular Docking Analysis of Caspase-3 Activators as Potential Anticancer Agents.
Sign Up to like & getrecommendations! Published in 2019 at "Current computer-aided drug design"
DOI: 10.2174/1573409914666181015150731
Abstract: INTRODUCTION Caspase-3 plays a leading role in apoptosis and on activation, it cleaves many protein substrates in cells and causes cell death. Since many chemotherapeutics are known to induce apoptosis in cancer cells, promotion or… read more here.
Keywords: caspase; apoptosis; docking analysis; drug ... See more keywords
Strontium-doped chromium oxide for RhB reduction and antibacterial activity with evidence of molecular docking analysis
Sign Up to like & getrecommendations! Published in 2023 at "Frontiers in Chemistry"
DOI: 10.3389/fchem.2023.1167701
Abstract: The emergence of multi-drug resistance (MDR) in aquatic pathogens and the presence of cationic dyes are the leading causes of water contamination on a global scale. In this context, nanotechnology holds immense promise for utilizing… read more here.
Keywords: molecular docking; docking analysis; antibacterial activity; microscopy ... See more keywords