Fast-Track Hit Validation

Unfortunately HTS assays do not provide directly the next blockbuster drug. Rather, a number of often unrelated hits is found, each to be validated before being declared a valid hit. Even when validated, they are a long way away from being preclinical candidates.

What we deliver is:

 

  • A consistent structure-activity relationship (SAR) amongst congeners of the various hits made by synthesizing focused mini libraries
  • Computationally driven hit expansion through commercially available chemical libraries
  • Hit(s) validation by experienced medicinal chemists who got their own leads into development often in the past
  • Assessment of chemical hit tractability for downstream multi-parametric lead optimization
  • QC-tested compounds with ≥90% purity determined by LC-MS
  • Hit resynthesis and developability profiling by early ADMET and physicochemical evaluation
  • Customized scoring function which aids in choosing the right hit(s) for further multi-parametric Lead Optimization
  • Flexibility to provide medicinal chemistry and developability services, while benefiting from the client’s screening library to generate initial hits

NiKem Research Services: Focused on Drug Discovery

Lead Generation: Hit Validation & Rational Drug Design

Enhanced Rational Drug Design

In the age of ultra high throughput screening with million compound libraries, is there still a need for rational drug design? We believe so, more than ever. HTS has well known limitations, and may not be necessary in many circumstances, such as when sufficient knowledge about the target structure and/or of associated ligands is known.

NiKem Research has put in place an interesting alternative to HTS that offers significant value to drug discovery efforts in situations where HTS would represent an overkill effort. We combine significant expertise in molecular modelling with in-silico screening of a high diversity virtual library, and the medium throughput screening of focused mini-libraries synthesized "ad hoc" to deliver a robust and effective alternative to HTS.

What we deliver is:

  • A cost effective approach that often yields better results than HTS

  • High quality, solid results in terms of hits, leads and data

  • Better leads with higher chance of success by including developability profiling early on

  • QC-tested compounds with ≥90% purity determined by LC-MS

  • Easy transition to a multi-parametric lead optimization program

  • A perfect support for target-rich Biotech companies looking to turn their IP into small molecule candidates