Hit to Lead

Ensure the efficient identification and advancement of the most promising compounds with our integrated hit to lead services. We aim to save you time and resources while accelerating your path to clinical development.

By leveraging advanced technologies and our multidisciplinary expertise, we provide tailored solutions that maximize success in this critical stage. With a focus on precision and reliability, we help you confidently progress hits toward viable lead candidates.

Computational methods for lead compound prioritization

Our computer-aided drug discovery (CADD) performs molecular docking, sparse array design, and scaffold hopping. ADMET predictions are developed to help in the identification and prioritization of lead compounds. Utilizing computational tools, we assess compound activity, selectivity, and safety profiles, ultimately aiding in the prioritization of lead compounds for the target of interest. View our CADD services here.

In addition, our use of Artificial Intelligence (AI) and Machine Learning (ML) helps leverage computational algorithms to identify patterns, process large datasets, and analyze and predict interactions with target proteins. This enhances the accuracy and speed of lead identification, helping select the most promising compounds for further drug development.

Medicinal chemistry expertise

Our medicinal chemistry services play an integral role in the hit to lead phase, ensuring the design and synthesis of high-quality compounds that align with your project’s objectives. Our expert chemists focus on optimizing chemical structures to improve target affinity, minimize off-target effects, and enhance the ADMET properties of identified hits. By leveraging structure-activity relationship (SAR) data, our team can refine hits into viable lead candidates with optimized drug-like characteristics.

Biological screening in hit to lead

Biological screening is essential during the hit to lead phase to assess the efficacy, selectivity, and mechanism of action of potential compounds. Using advanced in vitro and in vivo models, our team conducts rigorous testing to ensure that hits exhibit robust activity against the intended target while minimizing undesirable side effects. These insights enable the identification of key biomarkers and the refinement of candidates for further progression.

ADMET characterization and optimization

A thorough understanding of absorption, distribution, metabolism, and excretion (ADMET) properties is critical during the hit to lead stage. Our multidisciplinary teams conduct detailed ADMET profiling to evaluate the pharmacokinetic behavior of compounds early in the process. This ensures the prioritization of candidates with favorable properties, reducing the risk of late-stage attrition.

Our integrated approach combines computational, chemical, and biological techniques, enabling efficient decision-making and the rapid advancement of high-potential compounds toward the lead optimization phase. By combining our expertise in medicinal chemistry, biological screening, and ADME profiling with cutting-edge technologies like AI and ML, we deliver comprehensive solutions tailored to your specific drug discovery needs.

As your partner, we advise on the best scientific approach, apply adapted technologies, and provide detailed interpretation of outputs to help direct your project.