Results 321 to 330 of about 2,054,242 (350)

Aqueous solubility prediction: do crystal lattice interactions help?

Molecular Pharmaceutics, 2013
Aqueous solubility is a very important physical property of small molecule drugs and drug candidates but also one of the most difficult to predict accurately. Aqueous solubility plays a major role in drug delivery and pharmacokinetics.
M. Salahinejad, T. Le, D. Winkler
semanticscholar   +1 more source

Predicting aqueous solubility from structure

Drug Discovery Today, 2005
The aqueous solubility of a drug is one of the key physical properties that affect both its ADME profile and 'screenability' in HTS. This review critically surveys a range of methods that can be used to predict the solubility of a compound in water and presents some of the main issues that affect the applicability of different techniques.
openaire   +3 more sources

Estimation of Aqueous Solubility in Drug Design

Combinatorial Chemistry & High Throughput Screening, 2001
The solubility of drugs in water is of central importance in the process of drug discovery and development from molecular design to pharmaceutical formulation and biopharmacy. The ability to estimate the aqueous solubility and other properties of a promising lead compound affecting its pharmacokinetics is a prerequisite to rational drug design ...
openaire   +3 more sources

Predicting Aqueous Solubility: The Role of Crystallinity

Current Drug Metabolism, 2009
This paper revisits the role of crystallinity in predicting the aqueous solubility of a wide variety of organic compounds. Box and Comer (Current Drug Metabolism, 2008, 9, 869-878) fitted solubility data for 86 drugs to an equation based solely on log P.
Samuel H. Yalkowsky, Katherine A. Chu
openaire   +3 more sources

Recent Advances on Aqueous Solubility Prediction

Combinatorial Chemistry & High Throughput Screening, 2011
Aqueous solubility is one of the major physiochemical properties to be optimized in drug discovery. It is related to absorption and distribution in the ADME-Tox (Absorption, Distribution, Metabolism, Excretion, and Toxicity). Aqueous solubility and membrane permeability are the two key factors that affect a drug's oral bioavailability.
Tingjun Hou, Junmei Wang
openaire   +3 more sources

Revisiting the General Solubility Equation: In Silico Prediction of Aqueous Solubility Incorporating the Effect of Topographical Polar Surface Area

Journal of Chemical Information and Modeling, 2012
The General Solubility Equation (GSE) is a QSPR model based on the melting point and log P of a chemical substance. It is used to predict the aqueous solubility of nonionizable chemical compounds.
Jogoth Ali, P. Camilleri, Marc B. Brown, A. Hutt, S. B. Kirton   +4 more
semanticscholar   +1 more source

Aqueous Solubility of 14C‐Triamcinolone Acetonide

Journal of Pharmaceutical Sciences, 1976
The blue tetrazolium colorimetric assay has often been employed in the analysis of corticosteroids. However, the reaction between blue tetrazolium and corticosteroids partly depends on the apparent pH of the system. In an earlier study of the temperature dependence of the solubility and dissolution of triamcinolone acetonide in aqueous dissolution ...
Charanjit Rai Behl, Lawrence H. Block, Mitchell L. Borke   +2 more
openaire   +3 more sources

In Silico Prediction of Aqueous Solubility Using Simple QSPR Models: The Importance of Phenol and Phenol-like Moieties

Journal of Chemical Information and Modeling, 2012
Recently the authors published a robust QSPR model of aqueous solubility which exploited the computationally derived molecular descriptor topographical polar surface area (TPSA) alongside experimentally determined melting point and logP. This model (the "
Jogoth Ali, P. Camilleri, Marc B. Brown, A. Hutt, S. B. Kirton   +4 more
semanticscholar   +1 more source

High melatonin solubility in aqueous medium

Journal of Pineal Research, 1994
Shida CS, Castrucci AML, Lamy‐Freund MT. High melatonin solubility in aqueous medium. J Pineal Res. 1994:16:198–201.AbstractThe pineal hormone melatonin (5‐methoxy‐N‐acetyl‐tryptamine) has been reported to participate in important physiological processes.
Cláudio S. Shida, M. T. Lamy-Freund, Ana Maria de Lauro Castrucci   +2 more
openaire   +3 more sources

Solid dispersions of α-mangostin improve its aqueous solubility through self-assembly of nanomicelles.

Journal of Pharmacy and Science, 2012
α-Mangostin is an oxygenated heterocyclic xanthone with remarkable pharmacological properties, but poor aqueous solubility and low oral bioavailability hinder its therapeutic application.
A. Aisha, Z. Ismail, K. Abu-Salah, A. Majid   +3 more
semanticscholar   +1 more source