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An integral
part of our drug discovery process is
the development of knowledge based drug
design techniques for high-quality compound
selection and ligand design in a cost/time
efficient manner.
“Quality”
is based on design concepts including
detailed knowledge of compound site-mode
of action, pharmacophore-based design,
2D-3D fingerprinting approaches as well
as calculated and measured molecular
properties brought together through
multiple objective optimization approaches.
Lead identification is therefore an
extension of hit identification with
an emphasis on developing robust SAR
profiles to permit well constructed
compound/target testing in meaningful
animal models prior to lead identification.
High quality and parallel approaches,
e.g. toxicology and potency optimization,
with maximum use of information in compound
design, should lower downstream risks. |
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