scholarly journals Effect of Chrysophyllum cainito L. Leaves on Bone Formation In Vivo and In Silico

2021 ◽  
Vol 5 (2) ◽  
pp. 260-264
Keyword(s):  
Bone Formation ◽  
In Silico ◽  
Chrysophyllum Cainito

Modeling cortical bone adaptation using strain gradients

2021 ◽  
pp. 095441192110002
Author(s):  
Abhishek Kumar Tiwari ◽  
Ajay Goyal ◽  
Jitendra Prasad
Keyword(s):  
Bone Formation ◽  
Strain Gradient ◽  
In Silico ◽  
Fluid Motion ◽  
Osteogenic Potential ◽  
Normal Strain ◽  
New Bone Formation ◽  
Site Specific ◽  
Strain Gradients

Cyclic and low-magnitude loading promotes osteogenesis (i.e. new bone formation). Normal strain, strain energy density and fatigue damage accumulation are typically considered as osteogenic stimuli in computer models to predict site-specific new bone formation. These models however had limited success in explaining osteogenesis near the sites of minimal normal strain, for example, neutral axis of bending. Other stimuli such as fluid motion or strain gradient also stimulate bone formation. In silico studies modeled the new bone formation as a function of fluid motion, however, computation of fluid motion involves complex mathematical calculations. Strain gradients drive fluid flow and thus can also be established as the stimulus. Osteogenic potential of strain gradients is however not well established. The present study establishes strain gradients as osteogenic stimuli. Bending-induced strain gradients are computed at cortical bone cross-sections reported in animal loading in vivo studies. Correlation analysis between strain gradients and site of osteogenesis is analyzed. In silico model is also developed to test the osteogenic potential of strain gradients. The model closely predicts in vivo new bone distribution as a function of strain gradients. The outcome establishes strain gradient as computationally easy and robust stimuli to predict site-specific osteogenesis. The present study may be useful in the development of biomechanical approaches to mitigate bone loss.

scholarly journals 3D‐Printed Synthetic Hydroxyapatite Scaffold With In Silico Optimized Macrostructure Enhances Bone Formation In Vivo

2021 ◽  
pp. 2105002
Author(s):  
Dorien Van hede ◽  
Bingbing Liang ◽  
Sandy Anania ◽  
Mojtaba Barzegari ◽  
Bruno Verlée ◽  
...  
Keyword(s):  
Bone Formation ◽  
In Silico ◽  
3D Printed ◽  
Synthetic Hydroxyapatite ◽  
Hydroxyapatite Scaffold

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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