Compound Libraries

Traditional drug research and development are mainly based on natural active products or screening new drugs from existing compound data, but this method is highly random, blind, and inefficient. Medicinal chemists subsequently developed high-throughput screening (HTS) methods for drug discovery. Many pharmaceutical companies have also established compound libraries containing millions of small molecules and discovered many drug candidates. However, in drug screening with complex targets, HTS has been repeatedly frustrated. It is difficult to screen high-potential compounds, or the screened compounds have high false positives and poor drug-like properties. In this context, Fragment-based drug design (FBDD) came into being. The theoretical basis of FBDD is to select favorable fragment combinations or extensions to obtain new drug molecules, with a higher probability of obtaining highly active drug candidates. Compared with the screening of millions of macromolecules, thousands of fragme

The theoretical basis of FBDD is to select favorable fragment combinations or extensions to obtain new drug molecules, with a higher probability of obtaining highly active drug candidates. Compared with the screening of millions of macromolecules, thousands of fragment molecules can be combined to form millions of drug structures, which are easier to collect and manage. In addition, fragments have smaller molecular weights, relatively higher solubility, and easier structural optimization. The potential of over-the-counter medicine is higher. We analyzed the key interactions discovered by target protein hot spots to derive the fragment pharmacophore represented by the fragment-protein complex available in the PDB. Using this information, we designed a set of minimal diversified commercial fragments, covering most experiments combined with pharmacophore, used to identify the starting point of the fragment for drug discovery targets.

The theoretical basis of FBDD is to select favorable fragment combinations or extensions to obtain new drug molecules, with a higher probability of obtaining highly active drug candidates. Compared with the screening of millions of macromolecules, thousands of fragment molecules can be combined to form millions of drug structures, which are easier to collect and manage. In addition, fragments have smaller molecular weights, relatively higher solubility, and easier structural optimization. The potential of over-the-counter medicine is higher. The FragLites identify productive drug-like interactions, which are identified sensitively and unambiguously by X-ray crystallography, exploiting the anomalous scattering of the halogen substituent. This mapping of protein interaction surfaces provides an assessment of druggability and can identify efficient start points for the de novo design of hit molecules incorporating the interacting motifs. Combine fragments from FragLites to generate fragme

Traditional drug research and development are mainly based on natural active products or screening new drugs from existing compound data, but this method is highly random, blind, and inefficient. Medicinal chemists subsequently developed high-throughput screening (HTS) methods for drug discovery. Many pharmaceutical companies have also established compound libraries containing millions of small molecules and discovered many drug candidates. However, in drug screening with complex targets, HTS has been repeatedly frustrated. It is difficult to screen high-potential compounds, or the screened compounds have high false positives and poor drug-like properties. In this context, Fragment-based drug design (FBDD) came into being. Organic synthesis can transform miniature hits into effective lead compounds. The deficiencies in the current screening of compound libraries usually result in the need for a large amount of synthetic investment to achieve multi-directional fragment growth, which lim

The theoretical basis of FBDD is to select favorable fragment combinations or extensions to obtain new drug molecules, with a higher probability of obtaining highly active drug candidates. Compared with the screening of millions of macromolecules, thousands of fragment molecules can be combined to form millions of drug structures, which are easier to collect and manage. In addition, fragments have smaller molecular weights, relatively higher solubility, and easier structural optimization. The potential of over-the-counter medicine is higher. Targeted covalent inhibitors and chemical probes have become part of drug discovery methods. Given the advantages of fragment-based drug discovery, screening electrophilic fragments has become a promising alternative to discover and verify new targets and generate viable chemical starting points, even for targets that are almost difficult to handle. In response to this situation, we designed a small library of heterocyclic electrophilic compounds.

- A unique collection of 317 osteogenesis related compounds for high throughput and high content screening; - Targets several signaling pathways, such as BMP-SMAD, Notch, MAPK, Wnt/β-catenin, Hedgehog, FGF, etc.; - Effective tool for research in bone formation and related bone diseases, such as osteoporosis, bone tumor, etc.; - Bioactivity and safety confirmed by pre-clinical research and clinical trials; - Detailed compound information with structure, target, activity, IC50 value, and biological activity description; - Structurally diverse, medicinally active, and cell permeable;

- A unique collection of 1593 stem cell differentiation signaling targeted compounds for high throughput and high content screening; - Effective tool for research in regenerative medicine, stem cell differentiation signaling, and drug screening based on stem cells; - Targets include Wnt, GSK-2, Hedgehog, JAK, ROCK, γ-secretase, etc.; - Detailed compound information with structure, target, activity, IC50 value, and biological activity description; - Structurally diverse, medicinally active, and cell permeable; - NMR and HPLC validated to ensure high purity and quality;

- A unique collection of 945 cell cycle related compounds for high throughput screening (HTS) and high content screening (HCS); - Targets include CDK, ROCK, Aurora Kinase, ATM/ATR, DNA-PK, DNA/RNA Synthesis, etc.; - Effective tool for research in cell cycle and related diseases, such as cancer, cardiovascular diseases, inflammation, neurodegenerative diseases, etc.; - Detailed compound information with structure, target, activity, IC50 value, and biological activity description; - Structurally diverse, medicinally active, and cell permeable; - NMR and HPLC/LCMS validated to ensure high purity and quality;