* Please kindly note that our products and services can only be used to support research purposes (Not for clinical use).
The earliest study of structure-activity relationship (SAR) speculated the relationship between the structure and activity of physiologically active substances, and then inferred the structure of the active site of the target enzyme and designed a new structure of the active substance. With the development of information technology, at present, the quantitative structure-activity relationship (QSAR) with the computer as an auxiliary tool has become the main direction of structure-activity relationship research. The QSAR has also become one of the important methods for rational drug design.
Fig. 1 Overview of QSAR/QSPR modeling. (Patel, et al. 2014)
Quantitative Structure-Activity/Property Relationship (QSAR/QSPR) is the application of chemical theory calculation methods and various mathematical statistical analysis methods to quantitatively describe and study the relationship between the structure and activity/property of organic objects, and establish a mathematical model of QSAR/QSPR. Once the reliable QSAR/QSPR model is established, it can be used to predict the various properties of the new compound after testing for predictive power. The basic assumption in the QSAR/QSPR study is that the characters or biological activity of a compound can be expressed as a function of the chemical structure. That is, a mathematical model can be used to combine theoretical calculations and statistical analysis to study the quantitative relationship between the structure of a series of compounds and their properties.
Peptides have gained renewed interest as candidate therapeutics. However, to bring them to a broader clinical use, challenges such as the rational optimization of their pharmacological properties remain.
Creative Peptides has developed a reliable procedure for SAR analysis of peptides, we can provide global customers with the analysis of peptides based on our excellent technology.
The 3D-QSAR method used by Creative Peptides is more physicochemically meaningful and can indirectly reflect the non-bond interaction characteristics between the peptide and the target. Creative Peptides uses a method of comparative molecular similarity indices analysis (CoMSIA) for peptide analysis, the steps of which include:
References
Creative Peptides has accumulated a huge library of peptide knowledge including frontier peptide articles, application of peptides, useful tools, and more!
PM102 is a novel synthetic peptide that effectively reverses the anticoagulant effect of heparin. It can be used ...
An overview of trifluoroacetyl tripeptide-2 Peptides are chains of amino acids joined by peptide bond. Peptides are mostly i ...
GIP is a 42-aminoacid peptide secreted from the intestinal K-cells (located mainly in the duodenum and proximal jejunum) and ...
Factors of natural aging Natural aging of the skin results in decreased production and increased degradation of extracellula ...
In 1979, GOLDSTEIN et al. extracted an opioid-active 17 peptide from the pituitary of pigs and named it dynorphi ...