scholarly journals IN SILICO DESIGN OF Butea monosperma FLORAL DERIVED COMPOUNDS AND ITS INHIBITORY EFFECT ON β-CATENIN, GSK-3β AND APC COMPLEX PROTEINS IN COLORECTAL CANCER

2013 ◽  
Vol 5 (1) ◽  
pp. 191-197 ◽  
Author(s):  
NAVANEETHAKRISHNAN P ◽  
◽  
PRASHANTHA CN ◽  
BOOPATHI S ◽  
SABITHA R ◽  
...  
Keyword(s):  
Colorectal Cancer ◽  
In Silico ◽  
Inhibitory Effect ◽  
Butea Monosperma ◽  
In Silico Design ◽  
Gsk 3Β

Developing FGFR4 Inhibitors As Potential Anti-Cancer Agents Via In Silico Design, Supported by In Vitro and Cell-Based Testing

2013 ◽  
Vol 999 (999) ◽  
pp. 1-15
Author(s):  
H.K. Ho ◽  
G. Nemeth ◽  
Y.R. Ng ◽  
E. Pang ◽  
C. Szantai-Kis ◽  
...  
Keyword(s):  
In Silico ◽  
In Silico Design ◽  
Anti Cancer

In-silico Design and ADMET Studies of Natural Compounds as Inhibitors of Xanthine Oxidase (XO) Enzyme

2017 ◽  
Vol 18 (6) ◽  
Author(s):  
Neelam Malik ◽  
Priyanka Dhiman ◽  
Anurag Khatkar
Keyword(s):  
Xanthine Oxidase ◽  
In Silico ◽  
Natural Compounds ◽  
In Silico Design

Elucidation of Phosphodiesterase-1 Inhibitory Effect of Some Selected Natural Polyphenolics Using In Vitro and In Silico Methods

2016 ◽  
Vol 17 (4) ◽  
pp. 412-417 ◽  
Author(s):  
Abdur Rauf ◽  
Ilkay Erdogan Orhan ◽  
Abdulselam Ertas ◽  
Hamdi Temel ◽  
Taibi Ben Hadda ◽  
...  
Keyword(s):  
In Silico ◽  
Inhibitory Effect ◽  
In Silico Methods

scholarly journals In Silico design of an epitope-based vaccine against Choline binding protein A of Streptococcus pneumoniae

2021 ◽  
pp. 100546
Author(s):  
Meherunnesa Munia ◽  
Shafi Mahmud ◽  
Mohammed Mohasin ◽  
K.M.Kaderi Kibria
Keyword(s):  
Streptococcus Pneumoniae ◽  
In Silico ◽  
Binding Protein ◽  
Protein A ◽  
In Silico Design

In silico design of epitope-based peptide vaccine against non-typhoidal Salmonella through immunoinformatic approaches

2021 ◽  
pp. 1-19
Author(s):  
Md. Chayan Ali ◽  
Mst. Shanzeda Khatun ◽  
Sultana Israt Jahan ◽  
Raju Das ◽  
Yeasmin Akter Munni ◽  
...  
Keyword(s):  
In Silico ◽  
Peptide Vaccine ◽  
In Silico Design

scholarly journals In silico design and in vitro expression of novel multiepitope DNA constructs based on HIV-1 proteins and Hsp70 T-cell epitopes

2021 ◽  
Author(s):  
Elahe Akbari ◽  
Kimia Kardani ◽  
Ali Namvar ◽  
Soheila Ajdary ◽  
Esmat Mirabzadeh Ardakani ◽  
...  
Keyword(s):  
T Cell ◽  
In Silico ◽  
T Cell Epitopes ◽  
In Vitro Expression ◽  
In Silico Design ◽  
Hiv 1

scholarly journals Chemical Composition, In Vitro and In Silico Antioxidant Potential of Melissa officinalis subsp. officinalis Essential Oil

Antioxidants ◽  
2021 ◽  
Vol 10 (7) ◽  
pp. 1081
Author(s):  
Matilda Rădulescu ◽  
Călin Jianu ◽  
Alexandra Teodora Lukinich-Gruia ◽  
Marius Mioc ◽  
Alexandra Mioc ◽  
...  
Keyword(s):  
Antioxidant Activity ◽  
Chemical Composition ◽  
Essential Oil ◽  
In Silico ◽  
Antioxidant Properties ◽  
Radical Scavenging ◽  
Inhibitory Effect ◽  
Melissa Officinalis ◽  
Β Carotene

The investigation aimed to study the in vitro and in silico antioxidant properties of Melissa officinalis subsp. officinalis essential oil (MOEO). The chemical composition of MOEO was determined using GC–MS analysis. Among 36 compounds identified in MOEO, the main were beta-cubebene (27.66%), beta-caryophyllene (27.41%), alpha-cadinene (4.72%), caryophyllene oxide (4.09%), and alpha-cadinol (4.07%), respectively. In vitro antioxidant properties of MOEO have been studied in 2,2’-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) and 2,2-diphenyl-1-picrylhydrazyl (DPPH) free-radical scavenging, and inhibition of β-carotene bleaching assays. The half-maximal inhibitory concentration (IC50) for the radical scavenging abilities of ABTS and DPPH were 1.225 ± 0.011 μg/mL and 14.015 ± 0.027 μg/mL, respectively, demonstrating good antioxidant activity. Moreover, MOEO exhibited a strong inhibitory effect (94.031 ± 0.082%) in the β-carotene bleaching assay by neutralizing hydroperoxides, responsible for the oxidation of highly unsaturated β-carotene. Furthermore, molecular docking showed that the MOEO components could exert an in vitro antioxidant activity through xanthine oxidoreductase inhibition. The most active structures are minor MOEO components (approximately 6%), among which the highest affinity for the target protein belongs to carvacrol.

scholarly journals 2021 Biomaterials Science Emerging Investigators Issue In-silico design of additively manufacturable composite synthetic vascular conduits and grafts with tuneable compliance

2021 ◽  
Author(s):  
Oisín Sean Byrne ◽  
Fergal Brian Coulter ◽  
Ellen T Roche ◽  
Eoin D O'Cearbhaill
Keyword(s):  
Medical Devices ◽  
Clinical Assessment ◽  
In Silico ◽  
Critical Part ◽  
In Silico Design ◽  
Physiological Conditions

Benchtop testing of endovascular medical devices under accurately simulated physiological conditions is a critical part of device evaluation prior to clinical assessment. Currently, glass, acrylic and silicone vascular models are...

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