Medicinal Chemistry

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Our medicinal chemistry team provides integrated services ranging from drug design, library synthesis, in vitro assays, lead development and optimization and scale-up synthesis to support a variety of targets.

Computational Drug Design and Optimization Services

  • In silico protein docking and simulation with proprietary Rhodium™ platform
  • Virtual library screening
  • Allosteric binding site search
  • Pharmacophore modeling and other QSAR techniques

Synthetic Services

  • Small molecule library synthesis
  • Automated small molecule synthesis
  • Mass guided purification
  • Physicochemical characterization
  • Prodrug development
  • Hit to lead assessment
  • Lead optimization
  • Biomolecule conjugation – linker development, toxins, others
  • Protein conjugates
  • High potency compounds

Scale-up Synthesis

  • Synthesis of lead compound and backup
  • Stability testing (solid state and solution)
  • Salt forms
  • Analytical method development
  • Metabolite synthesis

Related Terminology

medicinal chemistry  •  protein docking  •  in vitro assays  •  QSAR  •  pharmacophore models  •  lead optimization  •  metabolites  •  protein docking  •  stability

Benefiting government, industry and the public through innovative science and technology
Southwest Research Institute® (SwRI®), headquartered in San Antonio, Texas, is a multidisciplinary, independent, nonprofit, applied engineering and physical sciences research and development organization with 9 technical divisions.