Computational Molecular Docking Analysis of Linalool Enantiomers Interaction With Mitogen-Activated Protein Kinase 1 (MAPK1): Insights Into Potential Binding Mechanisms and Affinity.
Sign Up to like & getrecommendations! Published in 2025 at "Chirality"
DOI: 10.1002/chir.70030
Abstract: Molecular docking analysis of linalool interaction with mitogen-activated protein kinase 1 (MAPK1) provides valuable insights into the potential binding mechanisms and affinity of this interaction. Linalool, a naturally occurring terpene alcohol, has been the subject… read more here.
Keywords: analysis linalool; docking analysis; molecular docking; interaction mitogen ... See more keywords
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
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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
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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
Anticancer, antimicrobial and molecular docking analysis of newly synthesized iodoquinazoline derivatives
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DOI: 10.1186/s13568-025-01899-1
Abstract: The 4-anilinoquinazoline sulfonamide derivatives in medicinal chemistry are well-known antitumor backbones via different mechanisms. Herein, we reported the synthesis of five new 2,4-disubstituted-6-iodoquinazoline derivatives coded compounds 3a–e. The respective compounds were examined for their antiproliferative,… read more here.
Keywords: molecular docking; docking analysis; iodoquinazoline derivatives; cell lines ... See more keywords
Coat protein of alfalfa mosaic alfamovirus (AMV) from Türkiye: genetic inference and in silico docking analysis for potential antiphytoviral purposes
Sign Up to like & getrecommendations! Published in 2024 at "Notulae Botanicae Horti Agrobotanici Cluj-Napoca"
DOI: 10.15835/nbha52113529
Abstract: In 2021, a study was conducted in the Denizli region of Türkiye to investigate the phylogenetic relationship and presence of alfalfa mosaic alfamovirus (AMV) infecting pepper plants exhibiting viral disease symptoms. A total of 57… read more here.
Keywords: docking analysis; alfalfa mosaic; mosaic alfamovirus; coat protein ... 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