scholarly journals Computer-Aided Discovery of New Solubility-Enhancing Drug Delivery System

Biomolecules ◽  
2020 ◽  
Vol 10 (6) ◽  
pp. 913
Author(s):  
Mikołaj Mizera ◽  
Eugene N. Muratov ◽  
Vinicius M. Alves ◽  
Alexander Tropsha ◽  
Judyta Cielecka-Piontek
Keyword(s):  
Therapeutic Potential ◽  
Aqueous Solubility ◽  
Cefuroxime Axetil ◽  
Structure Property ◽  
Pharmaceutical Ingredients ◽  
Structure Property Relationship ◽  
Poorly Soluble ◽  
The Stability ◽  
First Time ◽  
Poor Stability

The poor aqueous solubility of active pharmaceutical ingredients (APIs) places a limit on their therapeutic potential. Cyclodextrins (CDs) have been shown to improve the solubility of APIs, but the magnitude of the improvement depends on the structure of both the CDs and APIs. We have developed quantitative structure–property relationship (QSPR) models that predict the stability of the complexes formed by a popular poorly soluble antibiotic, cefuroxime axetil (CA) and different CDs. We applied this model to five CA–CD systems not included in the modeling set. Two out of three systems predicted to have poor stability and poor CA solubility, and both CA–CD systems predicted to have high stability and high CA solubility were confirmed experimentally. One of the CDs that significantly improved CA solubility, methyl-βCD, is described here for the first time, and we propose this CD as a novel promising excipient. Computational approaches and models developed and validated in this study could help accelerate the development of multifunctional CDs-based formulations.

scholarly journals Modeling the oxidative consumption of curcumin from controlled released poly(beta-amino ester) microparticles in the presence of a free radical generating system

2019 ◽  
Vol 6 (4) ◽  
pp. 201-210 ◽  
Author(s):  
Carolyn T Jordan ◽  
J Zach Hilt ◽  
Thomas D Dziubla
Keyword(s):  
Therapeutic Potential ◽  
Clinical Success ◽  
Amino Ester ◽  
Therapeutic Benefits ◽  
Consumption Rates ◽  
Rapid Clearance ◽  
Drug Modeling ◽  
First Time ◽  
Kinetics Of ◽  
Poor Stability

AbstractDespite the promise of its therapeutic benefits, curcumin as a free molecule has failed to demonstrate significant clinical success. Arguably, its inherently poor stability and rapid clearance is a significant reason for these negative outcomes. The incorporation of curcumin into the backbone of a crosslinked hydrogel that utilizes poly(beta-amino ester) (PBAE) chemistry can provide a tunable protective network with the ability to release at a controlled rate while improving its therapeutic potential. Kinetics of curcumin conjugated PBAE microparticles controlled release delivery system in the presence of oxidative environments was studied for the first time, where consumption rates of active curcumin and release products were obtained. The constituent amount of curcumin present in solution was improved by incorporating the active into the network in comparison to curcumin as a free drug. Modeling curcumin conjugated PBAE microparticles will provide a design platform to improve translation and overall success in delivering a therapeutic agent that matches levels of oxidative stress.

Structure–property relationship in fluorene-based polymer films obtained by electropolymerization of 4,4′-(9-fluorenylidene)-dianiline

RSC Advances ◽  
2015 ◽  
Vol 5 (117) ◽  
pp. 97016-97026 ◽  
Author(s):  
Mariana-Dana Damaceanu ◽  
Luminita Marin
Keyword(s):  
Polymer Films ◽  
Chemical Properties ◽  
Structure Property ◽  
Property Relationship ◽  
Physico Chemical ◽  
Structure Property Relationship ◽  
First Time

For the first time, the electropolymerization of 4,4′-(9-fluorenylidene)-dianiline and physico-chemical properties of the obtained polymer films are reported.

scholarly journals Recent Advancement in Chitosan-Based Nanoparticles for Improved Oral Bioavailability and Bioactivity of Phytochemicals: Challenges and Perspectives

Polymers ◽  
2021 ◽  
Vol 13 (22) ◽  
pp. 4036
Author(s):  
Syed Sarim Imam ◽  
Sultan Alshehri ◽  
Mohammed M. Ghoneim ◽  
Ameeduzzafar Zafar ◽  
Omar Awad Alsaidan ◽  
...  
Keyword(s):  
Oral Delivery ◽  
Therapeutic Potential ◽  
Aqueous Solubility ◽  
Future Directions ◽  
Good Solubility ◽  
Recent Advancement ◽  
Alkaline Conditions ◽  
Gastrointestinal Permeability ◽  
Poor Stability ◽  
Excellent Stability

The excellent therapeutic potential of a variety of phytochemicals in different diseases has been proven by extensive studies throughout history. However, most phytochemicals are characterized by a high molecular weight, poor aqueous solubility, limited gastrointestinal permeability, extensive pre-systemic metabolism, and poor stability in the harsh gastrointestinal milieu. Therefore, loading of these phytochemicals in biodegradable and biocompatible nanoparticles (NPs) might be an effective approach to improve their bioactivity. Different nanocarrier systems have been developed in recent decades to deliver phytochemicals. Among them, NPs based on chitosan (CS) (CS-NPs), a mucoadhesive, non-toxic, and biodegradable polysaccharide, are considered the best nanoplatform for the oral delivery of phytochemicals. This review highlights the oral delivery of natural products, i.e., phytochemicals, encapsulated in NPs prepared from a natural polymer, i.e., CS, for improved bioavailability and bioactivity. The unique properties of CS for oral delivery such as its mucoadhesiveness, non-toxicity, excellent stability in the harsh environment of the GIT, good solubility in slightly acidic and alkaline conditions, and ability to enhance intestinal permeability are discussed first, and then the outcomes of various phytochemical-loaded CS-NPs after oral administration are discussed in detail. Furthermore, different challenges associated with the oral delivery of phytochemicals with CS-NPs and future directions are also discussed.

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