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In Silico Solubility Evaluation and Improvement

The solubility of a drug is the maximum amount of drug dissolved in a certain amount of solvent at a certain temperature (gas at a certain pressure) and is usually expressed as a solute (1 g or 1 mL) dissolved in several milliliters of solvent. The solubility of a drug affects its pharmacokinetic properties, chemical stability, and choice of dosage form, and is an important part of the drug-based evaluation. Methods for increasing the solubility of the drug include: forming a soluble salt, introducing a hydrophilic group, adding a co-solvent, using a mixed solvent, and adding a solubilizing agent.

In recent years, researchers have developed a virtual computing algorithm that can predict the concentration-related solubility performance in the early stages, which is also based on molecular surface charge and hydrophobic interactions. Creative Biolabs can provide you with the latest assessment of drug solubility, which is conducive to the drug's drug-forming properties.

Introduction of In Silico Solubility Evaluation

The macroscopic properties of drugs mainly include relative molecular mass, solubility, fat solubility, and polar surface area. Among them, water solubility is an important content for evaluating the drug-forming properties of drugs, and it is also a prerequisite for oral absorption, which is a necessary condition for drugs to penetrate cell membranes. Solubility data is of great importance in estimating the parameters of clinical trials such as absorption, distribution, metabolism, and excretion in the body. In recent years, with the wide application of medicinal chemistry and the development of high-throughput technology, research work in silico solubility evaluation has also grown rapidly. More than 20 methods have successfully predicted the water solubility of drugs.

Principle of In Silico Viscosity Evaluation and Improvement

Advantages

Stimulation of <em>in silico</em> solubility evaluation and improvement. Fig.1 Stimulation of in silico solubility evaluation and improvement. (Yamamoto, 2016)

In pharmaceutical development, the water solubility of a drug plays a significant role. Creative Biolabs owns innovation computer simulation technology and a high-level technology platform and equipment. If you are interested in solubility evaluation and improvement, please contact us and we will happy to help you with accurate drug solubility evaluation and transformation.

Reference

  1. Yamamoto, K.; et al. Kinetic solubility and lipophilicity evaluation connecting formulation technology strategy perspective. Journal of Drug Delivery Science and Technology. 2016, 33: 13-18.

All listed services and products are For Research Use Only. Do Not use in any diagnostic or therapeutic applications.

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