Kinases/Phosphatases Drug DesignINQUIRY
Creative BioMart offers expertise and state-of-the-art technology platforms to help our customers overcome challenges in designing drugs targeting phosphorylation pathways. We are distinguished by our extensive knowledge of kinase/phosphatase biology and a proven track record in drug discovery. Our project team will tailor drug design solutions to meet customer needs.
Drug design, a creative process of finding new chemical entities based on the knowledge of molecular properties and biological targets, plays a crucial role in the drug discovery process. The basic aim of drug design is to predict whether a given molecule will bind to a target and, if so, to design a molecule that are complementary in shape and charge to the target with improved affinity, selectivity, and stability. Computer modeling techniques and bioinformatics approaches are frequently used to aid in drug design.
Kinases and phosphatases have emerged as a major class of therapeutic targets for pharmacological intervention in cancer and a variety of other diseases. Currently approved and under development drugs targeting kinases and phosphatases are mainly small molecule inhibitors and antibodies. Evolving techniques and strategies will shed new light on the future directions of kinase/phosphatase drug design for future targeted therapeutics.
Figure 1. Fragment-based design of selective dual MNK1/2 inhibitors. (Wang Z Z, et al., 2021)
Structure-Based Drug Design
Structure-based drug design that relies on the three-dimensional structure of target molecules is rapidly gaining momentum. Creative BioMart’ team of experts and integrated structural biology platform support structure-based drug design, from target identification to final structures. We specialize in the structural analysis of kinases, phosphatases, and phosphoproteins, and have extensive experience in molecular docking, virtual screening, and homology modeling.
Fragment-Based Drug Design
Fragment-based drug design, starting with the identification of fragments that bind with weak affinity to the target of interest, has emerged as an effective alternative to high-throughput screening. Creative BioMart bring together structural biologists, computational chemists, and medicinal chemists in a dedicated team. Their extensive capabilities in fragment-based drug design provide our customers with an excellent starting point to take their drug discovery program all the way to success.
Ligand-Based Drug Design
Ligand-based drug design is a popular approach used in the absence of three-dimensional structures of target molecules. Computational chemists at Creative BioMart work closely with medicinal chemists to provide a wide variety of specialized support for ligand-based drug design. We provide quantitative structure-activity relationship (QSAR) method and pharmacophore modeling to pave the way for the design of novel inhibitors.
Dual-Target Drug Design
Dual-target drugs have become an active field in the pharmaceutical industry because of their ability to interevent two or more disease-related targets. Creative BioMart provides a variety of design approaches, including skeleton modification, linked pharmacophore approach, fused pharmacophore approach, merged pharmacophore approach, and computational design approach to advance the development of dual-target kinase drugs and drugs targeting dual-specificity phosphatases.
Structure Prediction and Analysis
Crystallization and Structure Determination
In Vitro Kinase Screening & Profiling
In Vitro Phosphatase Screening & Profiling
In Vivo Functional Characterization
Creative BioMart is a trusted solution provider with many years of experience in kinase/phosphatase biology research and drug development. We have always been committed to providing our customers with high-quality products and customized services to accelerate their cutting-edge research and drug development pipeline. We fully support your project every step of the way to success.
Contact us to find out how our scientists can help you with your drug development project.
- Wang Z Z, et al. Fragment-based drug design facilitates selective kinase inhibitor discovery. Trends in Pharmacological Sciences, 2021.
- Zhou S F & Zhong W Z. Drug design and discovery: principles and applications. 2017:279.