In silico prediction and in vitro and in vivo validation of acaricide fluazuron as a potential inhibitor of FGFR3 and a candidate anticancer drug for bladder carcinoma

2016 ◽  
Vol 89 (4) ◽  
pp. 505-513 ◽  
Author(s):  
Kunbin Ke ◽  
Hongjian Li ◽  
Hong Yao ◽  
Xi-Nan Shi ◽  
Chao Dong ◽  
...  
Keyword(s):  
Anticancer Drug ◽  
Bladder Carcinoma ◽  
In Silico ◽  
In Silico Prediction ◽  
Potential Inhibitor ◽  
In Vivo Validation

Porphyrins to restrict progression of pancreatic cancer by stabilizing KRAS G-quadruplex: In silico, in vitro and in vivo validation of anticancer strategy

2018 ◽  
Vol 125 ◽  
pp. 39-53 ◽  
Author(s):  
Rudradip Pattanayak ◽  
Atish Barua ◽  
Amlan Das ◽  
Tanima Chatterjee ◽  
Adrija Pathak ◽  
...  
Keyword(s):  
Pancreatic Cancer ◽  
In Silico ◽  
G Quadruplex ◽  
In Vivo Validation

scholarly journals Identification of MT-45 Metabolites: In Silico Prediction, In Vitro Incubation with Rat Hepatocytes and In Vivo Confirmation

2017 ◽  
Vol 41 (8) ◽  
pp. 688-697 ◽  
Author(s):  
Camilla Montesano ◽  
Gabriele Vannutelli ◽  
Federico Fanti ◽  
Flaminia Vincenti ◽  
Adolfo Gregori ◽  
...  
Keyword(s):  
In Silico ◽  
Rat Hepatocytes ◽  
In Silico Prediction ◽  
In Vitro Incubation

scholarly journals In Silico Prediction and In Vivo Validation of Daphnia pulex Micrornas

PLoS ONE ◽  
2014 ◽  
Vol 9 (1) ◽  
pp. e83708 ◽  
Author(s):  
Shuai Chen ◽  
Garrett J. McKinney ◽  
Krista M. Nichols ◽  
Maria S. Sepúlveda
Keyword(s):  
In Silico ◽  
Daphnia Pulex ◽  
In Silico Prediction ◽  
In Vivo Validation

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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