Medicinal Chemistry Services

Chemistry Triage, Hit Clustering & Expansion

Our Chemistry Triage identifies, prioritizes, and organizes promising chemical hits, clustering them by structural similarity. In Expansion, we refine high-potential molecules by generating optimized derivatives to improve drug-like qualities. These services leverage expert medicinal chemistry insights to streamline early drug discovery and maximize each compound’s potential.

Hit-To-Lead & Lead Optimization

The Hit-To-Lead process involves refining initial chemical hits into viable lead compounds, assessing properties like potency, selectivity, and pharmacokinetics. Our lead optimization refines these leads, aiming for ideal therapeutic profiles, using our team’s expertise to prioritize molecules with the greatest potential for advancement.

Structure-Activity Relationship (SAR) Studies

SAR studies explore how chemical structure changes impact biological activity, guiding optimization of desired properties. By understanding these relationships, we make strategic modifications to improve compound efficacy, potency, and selectivity, fine-tuning molecules to enhance their therapeutic potential.

Structure-Based Design With Computational Support

Our computational chemistry service provides essential support for drug discovery through molecular docking, virtual screening, ligand-protein interaction studies, and ligand design. These tools allow us to predict how compounds interact with biological targets, aiding in the selection of promising candidates for further development. By simulating binding affinities and analyzing interactions, we refine molecular designs for enhanced potency and selectivity. Our expertise-driven approach ensures data-backed insights, guiding compound selection and optimization efficiently and accurately.

Ligand-Based Compound Design & Phenotypic Screening

Our ligand-based compound design applies medicinal chemistry expertise to develop compounds tailored to specific targets, improving selectivity and potency. Phenotypic screening complements this by assessing compounds based on observed biological responses, helping to identify the most promising molecules for further development based on desired functional outcomes.

Synthetic Route Design

Our experts design efficient, feasible synthetic routes for target molecules, optimizing synthesis for scalability and cost-effectiveness. This service ensures that promising compounds can be produced efficiently, accelerating their path from research to application.

Literature, Chemical Database & Patent Review

We conduct comprehensive reviews of scientific literature, chemical databases, and patent filings to inform project strategies and identify unique chemical spaces. This research safeguards novelty and supports decision-making, ensuring that compounds align with the latest discoveries and remain patentable.