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Medicinal Chemistry Services

Precise, Customizable and Expert Solutions

NJ Bio provides integrated chemistry services for the discovery, optimization and synthesis of small molecules and other chemical compounds to accelerate our clients drug development programs. Our team of expert medicinal chemists have years of experience in structure-based drug design, hit-finding, lead optimization and interpreting biological data to optimize compounds and generate viable drug candidates. With advanced equipment, our team can support the diverse needs of each project while addressing challenges related to compound stability, solubility, potency, and specificity encountered during the optimization process.

Workflow for bioanalysis of ADCs using hybrid LBA – LC-MS approach

Medicinal chemistry involves screening, design, synthesis and optimization of new bio-active molecules that are potent, effective and suitable for therapeutic use. It requires a multidisciplinary approach, integrating synthetic chemistry, biology, high-throughput screening, process development, and analytical characterization to ensure a seamless transition from screening to candidate identification.

Figure 1. Drug Discovery Process

The drug discovery and development process involves several critical decision points. Hit identification, lead generation and selection of the preclinical candidate are key decision points in drug discovery. We update our clients about the progress of the project in real-time and strive to minimize the time between these key decision points leading to better research output.

Lead Discovery

Our lead discovery approach includes collaborating with clients to design a custom compound screening library that is tailored specifically to the target. We utilize two advanced detection methods: Bio-Layer Interferometry (BLI) and NMR spectroscopy. Fragment Screening is a highly efficient way to explore chemical space, and NMR is particularly well-suited for this purpose, as it can detect even weak binding interactions. Chemical shift patterns are unique to each protein, making it possible to perform a BioNMR screen with multiple proteins and identify the protein to which the hit binds. This approach increases the throughput for screening libraries and can be used to assess specificity. After initial screening, validation of the hit is crucial, especially while working with difficult targets where false positives may bind more strongly (e.g. protein-protein interactions). For true binders, the binding footprint can allow modeling of the docked ligand, guiding chemistry optimization strategies. Additionally, the absence of a BioNMR response indicates non-binding. NJ Bio’s dedicated ‘Center for NMR Excellence’ is equipped with advanced instruments including the – 800-MHz JEOL NMR spectrometer with cryoprobe and 700-MHz Bruker NMR spectrometer with cryoprobe, which can significantly aid the hit screening and lead identification process. BLI screening can evaluate ~500 compounds/day, while NMR screening operates at a pace of ~100 compounds/day. Though this may seem slower, NMR is considered the “gold standard” for validating hits, as it assesses the authenticity of compounds, eliminating the need for a separate hit validation process. We recommend following up BLI screening with NMR verification to confirm hits.

To view data from our [¹H–¹⁵N]-HSQC NMR experiments, detailed structures of protein binding and the applications of advanced NMR methods to small molecules, visit https://njbio.com/bio-nmr-services/

Lead Optimization

We follow an iterative cycle of design, synthesis, assay, and structural analysis to optimize compounds. During the assay phase we can assess the compound’s activity or drug-like properties such as solubility, providing critical insights into its potential as a drug candidate. Structural analysis explains how the compound can be improved in terms of efficacy, thus informing the next design phase. Our team can execute this entire process or any combination of it and collaborate with you on specific steps, including co-designing compounds to accelerate the drug discovery program.

NJ Bio offers the following Medicinal Chemistry Services

Design and synthesis of chemical compounds for lead discovery and lead optimization
Screening, including fragment screening
Verification of screening hits using BioNMR
Assays
Compound scale up, ensuring reliability and reproducibility
Comprehensive bioanalytical and analytical support

Frequently Asked Questions (FAQs)

Can you assist with early-stage drug development?

Yes, we offer support at all stages, from initial hit identification to lead optimization and preclinical development.

Do you provide custom synthesis of specific chemical compounds?

We specialize in custom synthesis tailored to your specific project requirements, including complex molecules and their analogs.

Do you provide support for in vitro testing? What type of bioassays do you perform?

Yes, we offer extensive support for in vitro testing through our advanced bioanalytical and analytical platforms, specifically designed for small molecule drug evaluation. We can assist with a variety of assays, including binding assays and cellular assays. For more information visit https://njbio.com/bioanalytical-services-for-adcs-and-other-bioconjugates/

Do you perform advanced BioNMR studies?

Our BioNMR findings are used for compound design, optimization of lead candidates and studying target interactions. We also perform advanced BioNMR studies such as multi-dimensional NMR in our ‘Centre for NMR Excellence’. To know more visit https://njbio.com/bio-nmr-services/