scholarly journals Establishing GPCR Targets of hMAO Active Anthraquinones from Cassia obtusifolia Linn Seeds Using In Silico and In Vitro Methods

ACS Omega ◽  
2020 ◽  
Vol 5 (13) ◽  
pp. 7705-7715 ◽  
Author(s):  
Pradeep Paudel ◽  
Su Hui Seong ◽  
Fazlin Mohd Fauzi ◽  
Andreas Bender ◽  
Hyun Ah Jung ◽  
...  
Keyword(s):  
In Silico ◽  
Cassia Obtusifolia ◽  
In Vitro Methods

Evaluation of toxicological aspects of three new benzoxazole compounds with sunscreen photophysical properties using in silico and in vitro methods

2021 ◽  
pp. 105300
Author(s):  
Jâmeson Ferreira da Silva ◽  
Dione Silva Corrêa ◽  
Érico Leite Campos ◽  
Giovana Zamprônio Leite ◽  
João Denis Medeiros de Oliveira ◽  
...  
Keyword(s):  
In Silico ◽  
Photophysical Properties ◽  
In Vitro Methods

scholarly journals Prediction of protein targets of kinetin using in silico and in vitro methods: a case study on spinach seed germination mechanism

2015 ◽  
Vol 8 (3) ◽  
pp. 95-105 ◽  
Author(s):  
Sivakumar Prasanth Kumar ◽  
Vilas R. Parmar ◽  
Yogesh T. Jasrai ◽  
Himanshu A. Pandya
Keyword(s):  
Seed Germination ◽  
In Silico ◽  
Protein Targets ◽  
In Vitro Methods

scholarly journals Comparative Assessment of In Vitro and In Silico Methods for Aerodynamic Characterization of Powders for Inhalation

Pharmaceutics ◽  
2021 ◽  
Vol 13 (11) ◽  
pp. 1831
Author(s):  
Jelisaveta Ignjatović ◽  
Tijana Šušteršič ◽  
Aleksandar Bodić ◽  
Sandra Cvijić ◽  
Jelena Đuriš ◽  
...  
Keyword(s):  
In Silico ◽  
Aerodynamic Performance ◽  
Dry Powders ◽  
In Vitro Methods ◽  
Discrete Phase Modeling ◽  
Discrete Phase ◽  
Computational Fluid Dynamics Cfd ◽  
In Silico Methods

In vitro assessment of dry powders for inhalation (DPIs) aerodynamic performance is an inevitable test in DPI development. However, contemporary trends in drug development also implicate the use of in silico methods, e.g., computational fluid dynamics (CFD) coupled with discrete phase modeling (DPM). The aim of this study was to compare the designed CFD-DPM outcomes with the results of three in vitro methods for aerodynamic assessment of solid lipid microparticle DPIs. The model was able to simulate particle-to-wall sticking and estimate fractions of particles that stick or bounce off the inhaler’s wall; however, we observed notable differences between the in silico and in vitro results. The predicted emitted fractions (EFs) were comparable to the in vitro determined EFs, whereas the predicted fine particle fractions (FPFs) were generally lower than the corresponding in vitro values. In addition, CFD-DPM predicted higher mass median aerodynamic diameter (MMAD) in comparison to the in vitro values. The outcomes of different in vitro methods also diverged, implying that these methods are not interchangeable. Overall, our results support the utility of CFD-DPM in the DPI development, but highlight the need for additional improvements in these models to capture all the key processes influencing aerodynamic performance of specific DPIs.

scholarly journals Application of in silico and in vitro methods in the development of adverse outcome pathway constructs in wildlife

2014 ◽  
Vol 369 (1656) ◽  
pp. 20130584 ◽  
Author(s):  
Judith C. Madden ◽  
Vera Rogiers ◽  
Mathieu Vinken
Keyword(s):  
In Silico ◽  
Adverse Outcome ◽  
Adverse Outcome Pathway ◽  
New Paradigm ◽  
Mechanisms Of Toxicity ◽  
In Vitro Methods ◽  
Diverse Species ◽  
History Of ◽  
Related Wild Species

There is a long history of using both in silico and in vitro methods to predict adverse effects in humans and environmental species where toxicity data are lacking. Currently, there is a great deal of interest in applying these methods to the development of so-called ‘adverse outcome pathway’ (AOP) constructs. The AOP approach provides a framework for organizing information at the chemical and biological level, allowing evidence from both in silico and in vitro studies to be rationally combined to fill gaps in knowledge concerning toxicological events. Fundamental to this new paradigm is a greater understanding of the mechanisms of toxicity and, in particular, where these mechanisms may be conserved across taxa, such as between model animals and related wild species. This presents an opportunity to make predictions across diverse species, where empirical data are unlikely to become available as is the case for most species of wildlife.

scholarly journals Investigation of inhibition of human glucose 6-phosphate dehydrogenase by some 99mTc chelators by in silico and in vitro methods

2016 ◽  
Vol 31 (sup1) ◽  
pp. 141-147 ◽  
Author(s):  
Ali Şahin ◽  
Murat Şentürk ◽  
Ramin E. Salmas ◽  
Serdar Durdagi ◽  
Arif Ayan ◽  
...  
Keyword(s):  
In Silico ◽  
In Vitro Methods ◽  
Glucose 6 Phosphate Dehydrogenase

Assessing the chemical-induced estrogenicity using in silico and in vitro methods

2021 ◽  
pp. 103688
Author(s):  
Elizabeth Goya-Jorge ◽  
Mazia Amber ◽  
Rafael Gozalbes ◽  
Lisa Connolly ◽  
Stephen J. Barigye
Keyword(s):  
In Silico ◽  
In Vitro Methods
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