Evaluating the pharmacological properties of small-molecule compounds is critical for the initial selection or identification of chemical leads before further optimization of lead drugs to elucidate the relationship between structure-activity and structural properties. BOC Sciences' physicochemical characterization services include assessment of physicochemical parameters in buffers or biologically relevant media, as well as assessment of unbound fractions in biological matrices that are critical to ADME properties.
Fig. 1 Effects of adverse physicochemical properties on drug discovery
Physicochemical characterization of lead compounds provides pharmacological and physicochemical properties of bioactive small molecules in vitro to support small molecule probe/drug discovery projects. The physicochemical properties of drugs mainly include ionization, stability, lipophilicity, solubility, hydrogen bond, molecular size, etc. Physicochemical parameters are often used as primary indicators of "drug similarity" of lead drug molecules in terms of intestinal absorption. Information on these properties is also valuable when planning optimal conditions for other in vitro ADME assays. Proper analysis of lead molecules during the drug discovery phase will save significant time and cost for the rational design and smooth development of drugs.
Aqueous solubility is one of the important physicochemical parameters of compounds, which can reflect the bioavailability of compounds. Determination of compound solubility plays a key role in predicting gastrointestinal drug absorption, accurate in vitro bioassays, and selecting appropriate dosage forms for in vivo experiments. Therefore, the determination of the solubility of the compound in the drug discovery stage is of great significance for the subsequent development of the compound. BOC Sciences has extensive knowledge and experience in characterizing biopharmaceutical properties, and our high-throughput solubility assessment strategies include kinetic and thermodynamic solubility.
Compound stability is an important factor to consider in the early stages of drug discovery. The chemical stability of drugs mainly includes reactions such as hydrolysis, dehydration, oxidation, photochemical degradation or reaction with excipients. Corresponding degradation stability testing, storage stability testing and photostability testing are powerful testing methods for active pharmaceutical ingredients or formulations in various physical, chemical or microbial environments. BOC Sciences' physicochemical characterization has a leading portfolio of compound stability services designed to help you understand the metabolic profile of your compounds.
Lipid solubility is another very important physicochemical parameter of compounds, which will affect its solubility, absorption, membrane permeability, plasma protein binding, tissue distribution, brain tissue entry and clearance pathways. The lipophilicity of compounds not only affects their target recognition, but also affects their interaction with CYP450, HERG binding, and PXR-mediated enzymatic induction. The liposolubility of compounds is usually measured by Log D and Log P. BOC Sciences has the ability to provide logP/logD analysis services by reversed phase high performance liquid chromatography (RP-HPLC) or thin layer chromatography (TLC) to customers worldwide.
BOC Sciences specializes in custom services for non-clinical ADME and toxicology. We have extensive knowledge and experience in characterizing biopharmaceuticals, providing our clients with cost-effective, reproducible, high-quality data. With our fast turnaround times and flexible services, we can deliver results that meet your specific needs. Please contact us to learn more about our services.