Medicinal chemistry is the study and synthesis of biologically active compounds. It integrates pharmaceutical chemistry, biology and pharmacology to identify chemical compounds that can become new drugs that treat disease and symptoms. The medicinal chemistry team at Southwest Research Institute (SwRI) provides integrated services including drug design, library synthesis, in vitro assays, lead development and optimization, and scale-up synthesis to support a variety of targets. We offer computational drug design and optimization from initial virtual library screening and binding site search to scale-up synthesis.

Synthetic Services & Drug Design Projects Overview

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Physicochemical properties (PCP) guide the identification and exploration of drug-like chemical space of small molecules.

Leverage our state-of-the-art facilities and experienced team for all your synthetic chemistry requirements. From small molecule library synthesis, automated synthesis, mass-guided purification, and physicochemical characterization, we offer advanced solutions to drive your projects forward. Our expertise extends to prodrug development, hit-to-lead (H2L) assessment, lead optimization (LO), biomolecule conjugation, linker development, toxin conjugates, protein conjugates, antibody drug conjugates (ADC), and high potency compounds.

• Small molecule synthesis – enabling synthetic development
• Medicinal chemistry – in-house chemists execute design and synthesis
• Biological data – only collect data you will need for the IND
• Intellectual property (IP) – develop IP strategies and agreements
• High Potency (HP) – dedicated positive-pressure OEL4 laboratory (1,000 sqft)
• AI & ML – accelerate discovery timelines with AI drug discovery applications

Selecting the next analog to synthesize is a critical decision that can significantly influence the success of a drug discovery campaign. SwRI simplifies this challenging task through data-driven methodologies to ensure rational and well-documented compound selection. Our approach to analog synthesis not only maximizes resource investment but also supports informed decision-making at pivotal stages, driving your drug design projects toward successful outcomes.

Computational Chemistry Services

Our computational chemistry services offer a comprehensive suite of tools to enhance your drug discovery efforts. Utilizing our Rhodium™ virtual screening platform, we provide in silico protein docking and simulation to accurately model drug interactions. Our services include extensive virtual library screening to identify potential candidates, allosteric binding site searches to discover unique drug interaction sites, and pharmacophore modeling alongside other Quantitative Structure-Activity Relationship (QSAR) techniques.

• Structure-based Drug Design – An integrated SBDD approach with Computer-aided Drug Design (CADD), H2L Services for increased potency and selectivity, and protein structure analysis with novel binding site search algorithm.

Contact Jonathan Bohmann, Ph.D. for more information on computational methods.

Salt Screening and Selection

Salt screening and selection play a crucial role in pharmaceutical development, impacting drug substance purification, crystallization, manufacturing, in vivo performance, stability, and safety. By leveraging advanced strategies and a clear understanding of Critical Material Attributes (CMAs), we optimize the selection of appropriate salt forms to meet your project’s unique goals and ensure successful outcomes.

Stability Testing Services

Ensure the efficacy and safety of your drug formulations with Southwest Research Institute’s (SwRI) rigorous stability testing services. Our CGMP Manufacturing team conducts comprehensive studies under various environmental conditions to determine shelf life and compliance with FDA and International Council for Harmonisation (ICH) guidelines.

Learn more about our Stability Testing capabilities or contact Sandra Drabik, Ph.D. for more information.

Scale-up Synthesis

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Bench-scale reaction optimization with overhead stirring at SwRI in San Antonio.

Our Scale-Up Synthesis services provide critical support for advancing your drug candidates from the laboratory to larger scales of production. We specialize in the synthesis of lead compounds and backup candidates, ensuring that you have robust options for further development. Our services include thorough stability testing in both solid state and solution forms, as well as the preparation of various salt forms to enhance compound properties. We also offer analytical method development to ensure precise and reliable data, along with metabolite synthesis to support drug metabolism studies.

• Pharmaceutical Process Development – API process development
• Chemical Process Development – Feedstock or fine chemicals process development
• CGMP Manufacturing – Fully integrated pharmaceutical services
• CMC Chemistry Manufacturing Control Services – bench-scale to pilot-scale

Learn more about our Pharmaceutical Process Development capabilities or contact Shawn Blumberg, Ph.D. for more information.

Library Resources, Literature Search and Chemical Structure Editors

The SwRI Library supports innovative research and professional learning experiences to provide scholarly services. SwRI’s experts have access to comprehensive databases and search engines for reviewing the chemical literature. We utilize core research tools for chemistry, biochemistry, chemical engineering, materials science, nanotechnology, physics, and environmental science.

• Chemical structure search – Access to ChemDraw and CAS SciFinder
• Literature sources – Access to ACS Journals, Elsevier, and other publishing houses

Related Services

• CGMP Manufacturing
• Chemical & Biodefense
• Drug Discovery
• Medicinal Chemistry
• Pharmaceutical Development