scholarly journals Drug Penetration of the Posterior Eye Tissues after Topical Instillation: In Vivo and in Silico Simulation

2011 ◽  
Vol 59 (10) ◽  
pp. 1263-1267 ◽  
Author(s):  
Yuko Shikamura ◽  
Akira Ohtori ◽  
Kakuji Tojo
Keyword(s):  
In Silico ◽  
Drug Penetration ◽  
Eye Tissues ◽  
In Silico Simulation

Comparison of in vivo and in silico growth performance and variability in pigs when applying a feeding strategy designed by simulation to control the variability of slaughter weight

2014 ◽  
Vol 54 (12) ◽  
pp. 1939 ◽  
Author(s):  
L. Brossard ◽  
B. Vautier ◽  
J. van Milgen ◽  
Y. Salaun ◽  
N. Quiniou
Keyword(s):  
Growth Performance ◽  
Coefficient Of Variation ◽  
In Silico ◽  
Feeding Strategy ◽  
Feeding Strategies ◽  
Net Energy ◽  
Two Phase ◽  
In Silico Simulation ◽  
Ad Libitum

Variability in bodyweight (BW) among pigs complicates the management of feeding strategies and slaughter. Including variability among individuals in modelling approaches can help to design feeding strategies to control performance level, but also its variability. The InraPorc model was used to perform simulations on 10 batches of 84 crossbred pigs each to characterise the effect of feeding strategies differing in amino acid supply or feed allowance on the mean and variation in growth rate. Results suggested that a feed restriction reduces the coefficient of variation of BW at first departure for slaughter (BW1) by 34%. Growth performance obtained from an in silico simulation using ad libitum and restricted feeding plans was compared with results obtained in an in vivo experiment on a batch of 168 pigs. Pigs were offered feed ad libitum or were restricted (increase in feed allowance by 27 g/day up to a maximum of 2.4 and 2.7 kg/day for gilts and barrows, respectively). A two-phase feeding strategy was applied, with 0.9 and 0.7 g of digestible lysine per MJ of net energy (NE) in diets provided before or after 65 kg BW, respectively. Actual growth was similar to that obtained by simulation. Coefficient of variation of BW1 was similar in vivo and in silico for the ad libitum feeding strategy but was underestimated by 1 percentage point in silico for the restriction strategy. This study confirms the relevance of using simulations performed to predict the level and variability in performance of group housed pigs.

In vitro -In vivo- In silico Simulation of Experimental Design Based Optimized Curcumin Loaded Multiparticulates System

2018 ◽  
Vol 24 (30) ◽  
pp. 3576-3586
Author(s):  
Sima Singh ◽  
Afzal Hussain ◽  
Uma Ranjan Lal ◽  
Nisar Sayyad ◽  
Rajshekhar Karpoormath ◽  
...  
Keyword(s):  
Experimental Design ◽  
Drug Release ◽  
In Silico ◽  
Laser Scanning Microscopy ◽  
Enhanced Absorption ◽  
In Silico Simulation ◽  
Vitro Data ◽  
In Vitro Data

The present study focused to optimize dual coated multiparticulates using Box-Behnken Experimental Design and in-silico simulation using GastroPlusTM software. The optimized formulations (OB1 and OB2) were comparatively evaluated for particle size, morphological, in vitro drug release, and in vivo permeation studies. In silico simulation study predicted the in vivo performance of the optimized formulation based on in-vitro data. Results suggested that optimized formulation was obtained using maximum content of Eudragit FS30D and minimum drying time (2 min). In vitro data corroborated that curcumin release was completely protected from premature drug release in the proximal part of gastro intestinal tract and successfully released to the colon (95%) which was closely predicted (90.1 %) by GastroPlusTM simulation technique. Finally, confocal laser scanning microscopy confirmed the in-vitro findings wherein maximum intensity was observed with OB1 treated group suggesting successful delivery of OB1 to the colon for enhanced absorption as predicted in regional absorption profile in ascending colon (30.9%) and caecum (23.2%). Limited drug absorption was predicted in small intestine (1.5-8.7%). The successful outcomes of the research work minimized the release of curcumin in the upper gastric tract and the maximized drug access to the colon (pH 7.4) as prime concern.

Development of an In Vivo Predictive Dissolution Methodology of Topiroxostat Immediate-Release Tablet Using In Silico Simulation

2021 ◽  
Vol 22 (3) ◽  
Author(s):  
Gang Li ◽  
Haiyang Yang ◽  
Wei Liu ◽  
Chen Shen ◽  
Yanhua Ji ◽  
...  
Keyword(s):  
In Silico ◽  
Immediate Release ◽  
In Silico Simulation ◽  
Release Tablet

Quantification of stem cell / niche interactions by coupling in vivo imaging and in silico simulation

2013 ◽  
Vol 41 (8) ◽  
pp. S31
Author(s):  
Ingo Roeder ◽  
Axel Krinner ◽  
Nico Scherf ◽  
Marc Scott ◽  
Narges Rashidi ◽  
...  
Keyword(s):  
Stem Cell ◽  
In Vivo Imaging ◽  
In Silico ◽  
Stem Cell Niche ◽  
In Silico Simulation ◽  
Cell Niche

In vitro–in vivo–in silico simulation studies of anti-tubercular drugs doped with a self nanoemulsifying drug delivery system

RSC Advances ◽  
2016 ◽  
Vol 6 (95) ◽  
pp. 93147-93161 ◽  
Author(s):  
Afzal Hussain ◽  
Sandeep Kumar Singh ◽  
Neeru Singh ◽  
Priya Ranjan Prasad Verma
Keyword(s):  
Drug Delivery ◽  
Drug Delivery System ◽  
Delivery System ◽  
In Silico ◽  
Simulation Studies ◽  
System P ◽  
In Silico Simulation

This study aimed to formulate a self-nanoemulsifying drug delivery system (SNEDDS) for enhanced pharmacokinetic (PK) behavior of rifampicin and isoniazid using excipients holding innate anti-mycobacterial activity followed within vivo–in silicopredictions using GastroPlus™.

Mechanisms of action of antihyperglycemic mexicanolides isolated from Swietenia humillis: in vivo and in silico approaches

Planta Medica ◽  
2016 ◽  
Vol 81 (S 01) ◽  
pp. S1-S381 ◽  
Author(s):  
B Ovalle-Magallanes ◽  
A Madariaga-Mazón ◽  
A Navarrete ◽  
R Mata
Keyword(s):  
In Silico ◽  
Mechanisms Of Action

Ruthenium Complexes for 1- and 2-Photon Photodynamic Therapy: From In Silico Prediction to In Vivo Applications

2020 ◽  
Author(s):  
Johannes Karges ◽  
Shi Kuang ◽  
Federica Maschietto ◽  
Olivier Blacque ◽  
Ilaria Ciofini ◽  
...  
Keyword(s):  
Photodynamic Therapy ◽  
In Silico ◽  
Aqueous Solubility ◽  
The Body ◽  
Photon Absorption ◽  
Multicellular Tumor Spheroids ◽  
Spectral Window ◽  
Photon Excitation ◽  
Polypyridine Complexes

<div>The use of photodynamic therapy (PDT) against cancer has received increasing attention overthe recent years. However, the application of the currently approved photosensitizers (PSs) is somehow limited by their poor aqueous solubility, aggregation, photobleaching and slow clearance from the body. To overcome these limitations, there is a need for the development of new classes of PSs with ruthenium(II) polypyridine complexes currently gaining momentum. However, these compounds generally lack significant absorption in the biological spectral window, limiting their application to treat deep-seated or large tumors. To overcome this drawback, ruthenium(II) polypyridine complexes designed in silico with (E,E’)-4,4´-bisstyryl 2,2´-bipyridine ligands showed impressive 1- and 2-Photon absorption up to a magnitude higher than the ones published so far. While non-toxic in the dark, these compounds were found phototoxic in various 2D monolayer cells, 3D multicellular tumor spheroids and be able to eradicate a multiresistant tumor inside a mouse model upon clinically relevant 1-Photon and 2 Photon excitation.</div>

Recent In Vitro and In Silico Advances in the Understanding of Intranasal Drug Delivery

2020 ◽  
Vol 26 ◽  
Author(s):  
John Chen ◽  
Andrew Martin ◽  
Warren H. Finlay
Keyword(s):  
Drug Delivery ◽  
In Silico ◽  
Local Drug Delivery ◽  
In Vivo Studies ◽  
Intranasal Drug Delivery ◽  
Nasal Sprays ◽  
In Silico Studies ◽  
Drug Delivery Devices

Background: Many drugs are delivered intranasally for local or systemic effect, typically in the form of droplets or aerosols. Because of the high cost of in vivo studies, drug developers and researchers often turn to in vitro or in silico testing when first evaluating the behavior and properties of intranasal drug delivery devices and formulations. Recent advances in manufacturing and computer technologies have allowed for increasingly realistic and sophisticated in vitro and in silico reconstructions of the human nasal airways. Objective: To perform a summary of advances in understanding of intranasal drug delivery based on recent in vitro and in silico studies. Conclusion: The turbinates are a common target for local drug delivery applications, and while nasal sprays are able to reach this region, there is currently no broad consensus across the in vitro and in silico literature concerning optimal parameters for device design, formulation properties and patient technique which would maximize turbinate deposition. Nebulizers are able to more easily target the turbinates, but come with the disadvantage of significant lung deposition. Targeting of the olfactory region of the nasal cavity has been explored for potential treatment of central nervous system conditions. Conventional intranasal devices, such as nasal sprays and nebulizers, deliver very little dose to the olfactory region. Recent progress in our understanding of intranasal delivery will be useful in the development of the next generation of intranasal drug delivery devices.

In-silico Studies of Isolated Phytoalkaloid Against Lipoxygenase: Study Based on Possible Correlation

2018 ◽  
Vol 21 (3) ◽  
pp. 215-221
Author(s):  
Haroon Khan ◽  
Muhammad Zafar ◽  
Helena Den-Haan ◽  
Horacio Perez-Sanchez ◽  
Mohammad Amjad Kamal
Keyword(s):  
In Silico ◽  
Docking Studies ◽  
In Vivo Studies ◽  
In Vitro Assays ◽  
Chronic Obstructive ◽  
Lipoxygenase Inhibitors ◽  
Lipoxygenase Inhibition ◽  
In Silico Studies

Aim and Objective: Lipoxygenase (LOX) enzymes play an important role in the pathophysiology of several inflammatory and allergic diseases including bronchial asthma, allergic rhinitis, atopic dermatitis, allergic conjunctivitis, rheumatoid arthritis and chronic obstructive pulmonary disease. Inhibitors of the LOX are believed to be an ideal approach in the treatment of diseases caused by its over-expression. In this regard, several synthetic and natural agents are under investigation worldwide. Alkaloids are the most thoroughly investigated class of natural compounds with outstanding past in clinically useful drugs. In this article, we have discussed various alkaloids of plant origin that have already shown lipoxygenase inhibition in-vitro with possible correlation in in silico studies. Materials and Methods: Molecular docking studies were performed using MOE (Molecular Operating Environment) software. Among the ten reported LOX alkaloids inhibitors, derived from plant, compounds 4, 2, 3 and 1 showed excellent docking scores and receptor sensitivity. Result and Conclusion: These compounds already exhibited in vitro lipoxygenase inhibition and the MOE results strongly correlated with the experimental results. On the basis of these in vitro assays and computer aided results, we suggest that these compounds need further detail in vivo studies and clinical trial for the discovery of new more effective and safe lipoxygenase inhibitors. In conclusion, these results might be useful in the design of new and potential lipoxygenase (LOX) inhibitors.

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