www.criver.com EVERY STEP OF THE WAY Computer-aided Drug Design (CADD) Services Charles River’s Computer-aided Drug Design (CADD) team unites industry-seasoned scientists with an average of 14 years of biotech/pharma experience with modern software and hardware resources. This combination enables us to support drug discovery projects all the way from hit identification through lead optimization. HTS Support Charles River’s CADD group works closely with our high-throughput screening (HTS) team to provide an optimal service to our clients. CADD input to HTS campaigns includes the selection of compound subsets for screening. This can be carried out at either a compound or plate level using various computational methods in combination with our extensive in-house compound collections. Once a screen has been run, the CADD team can assist with data triage using a range of cheminformatics and visualization tools. We can also apply our proprietary hit expansion toolkit to identify additional compounds for screening that can enhance SAR and lead to the discovery of new scaffolds. Structure- and Ligand-based Virtual Screening Our virtual screening campaigns frequently lead to the rapid and cost-effective identification of excellent starting points for hit-to-lead chemistry. Given one or more compounds with proven activity against the target of interest and/or an X-ray structure of the target, we apply the appropriate computational techniques in conjunction with in-house and/or external compound collections to identify a set of molecules for biochemical screening. CADD Capabilities • HTS support • Structure- and ligand-based virtual screening • Structure-based drug design • Ligand-based drug design • Molecular dynamics • QSAR and QSPR modelling • Compound library design Summary Charles River’s CADD team can work in a standalone manner, often for bespoke modeling or virtual screening projects, or act as an integrated project team member, collaborating closely with colleagues in medicinal chemistry, structural biology and allied disciplines. Click to learn more Questions for our chemists? Visit https://www.criver.com/ consult-pi-ds-questions-for-our- chemists DISCOVERY
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Computer-aided Drug Design (CADD) Services€¦ · • Structure-based drug design • Ligand-based drug design • Molecular dynamics • QSAR and QSPR modelling • Compound library
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www.criver.com
EVERY STEP OF THE WAY
Computer-aided Drug Design (CADD) ServicesCharles River’s Computer-aided Drug Design (CADD) team unites industry-seasoned scientists with an average of 14 years
of biotech/pharma experience with modern software and hardware resources. This combination enables us to support drug
discovery projects all the way from hit identification through lead optimization.
HTS SupportCharles River’s CADD group works closely with our high-throughput screening (HTS) team to provide an optimal service
to our clients. CADD input to HTS campaigns includes the selection of compound subsets for screening. This can be
carried out at either a compound or plate level using various computational methods in combination with our extensive
in-house compound collections. Once a screen has been run, the CADD team can assist with data triage using a range
of cheminformatics and visualization tools. We can also apply our proprietary hit expansion toolkit to identify additional
compounds for screening that can enhance SAR and lead to the discovery of new scaffolds.
Structure- and Ligand-based Virtual ScreeningOur virtual screening campaigns frequently lead to the rapid and cost-effective identification of excellent starting points
for hit-to-lead chemistry. Given one or more compounds with proven activity against the target of interest and/or an X-ray
structure of the target, we apply the appropriate computational techniques in conjunction with in-house and/or external
compound collections to identify a set of molecules for biochemical screening.
CADD Capabilities
• HTS support
• Structure- and ligand-based virtual screening
• Structure-based drug design
• Ligand-based drug design
• Molecular dynamics
• QSAR and QSPR modelling
• Compound library design
SummaryCharles River’s CADD team can
work in a standalone manner,
often for bespoke modeling or
virtual screening projects, or act
as an integrated project team
member, collaborating closely
with colleagues in medicinal
chemistry, structural biology and
allied disciplines.
Click to learn more
Questions for our chemists? Visit https://www.criver.com/