Structural modification aimed for improving solubility of lead compounds in early phase drug discovery

B Das, ATK Baidya, AT Mathew, AK Yadav… - Bioorganic & Medicinal …, 2022 - Elsevier
Many lead compounds fail to reach clinical trials despite being potent because of low
bioavailability attributed to their insufficient solubility making solubility a primary and crucial …

Applications of hot-melt extrusion for drug delivery

MA Repka, S Majumdar, S Kumar Battu… - Expert opinion on …, 2008 - Taylor & Francis
In today's pharmaceutical arena, it is estimated that more than 40% of new chemical entities
produced during drug discovery efforts exhibit poor solubility characteristics. However, over …

Hansen solubility parameter as a tool to predict cocrystal formation

MA Mohammad, A Alhalaweh, SP Velaga - International journal of …, 2011 - Elsevier
The objective of this study was to investigate whether the miscibility of a drug and coformer,
as predicted by Hansen solubility parameters (HSPs), can indicate cocrystal formation and …

[HTML][HTML] Theoretical and practical approaches for prediction of drug–polymer miscibility and solubility

PJ Marsac, SL Shamblin, LS Taylor - Pharmaceutical research, 2006 - Springer
Purpose Crystallization of drugs formulated in the amorphous form may lead to reduced
apparent solubility, decreased rate of dissolution and bioavailability and compromise the …

Hot melt extrusion (HME) for amorphous solid dispersions: predictive tools for processing and impact of drug–polymer interactions on supersaturation

AL Sarode, H Sandhu, N Shah, W Malick… - European Journal of …, 2013 - Elsevier
The processing parameters for HME have been evaluated and the impact of solid state
intermolecular drug–polymer interactions on supersaturation has been investigated. Poorly …

Selection of excipients for melt extrusion with two poorly water-soluble drugs by solubility parameter calculation and thermal analysis

A Forster, J Hempenstall, I Tucker, T Rades - International journal of …, 2001 - Elsevier
The aim of this study was to determine the miscibility of drug and excipient to predict if glass
solutions are likely to form when drug and excipient are melt extruded. Two poorly water …

Prediction of small-molecule compound solubility in organic solvents by machine learning algorithms

Z Ye, D Ouyang - Journal of cheminformatics, 2021 - Springer
Rapid solvent selection is of great significance in chemistry. However, solubility prediction
remains a crucial challenge. This study aimed to develop machine learning models that can …

Prediction of solubility parameters and miscibility of pharmaceutical compounds by molecular dynamics simulations

J Gupta, C Nunes, S Vyas… - The Journal of Physical …, 2011 - ACS Publications
The objectives of this study were (i) to develop a computational model based on molecular
dynamics technique to predict the miscibility of indomethacin in carriers (polyethylene oxide …

Polymer–drug compatibility: a guide to the development of delivery systems for the anticancer agent, ellipticine

J Liu, Y Xiao, C Allen - Journal of pharmaceutical sciences, 2004 - Elsevier
To establish a method for predicting polymer–drug compatibility as a means to guide
formulation development, we carried out physicochemical analyses of polymer–drug pairs …

Preparation of carbamazepine–Soluplus® solid dispersions by hot-melt extrusion, and prediction of drug–polymer miscibility by thermodynamic model fitting

J Djuris, I Nikolakakis, S Ibric, Z Djuric… - European Journal of …, 2013 - Elsevier
Hot-melt extrusion (HME) is a dust-and solvent-free continuous process enabling the
preparation of a variety of solid dosage forms containing solid dispersions of poorly soluble …