Creative Biostructure: Drug Discovery Services - Hit Identification & Lead Optimization, Slides of Biology

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Lead Identification

VLP Recombinant Protein

After screening out the compounds showing potential activity against the target through the

hit identification stage, it is necessary to carry out further characterization and optimization of these hit

compounds. And this stage is termed as hit to lead. The goal of this stage is to identify the most

promising hit series through limited structure-activity relationship (SAR) studies to enter the

lead optimization and preclinical development stage. With a dedicated team of skilled scientists and

technicians, Creative Biostructure provides MagHelix™ hit evaluation and lead identification (hit to lead)

solutions to meet our clients’ needs and goals.

Whether your therapeutic goal focuses on the development of small molecules, peptides, or other

biologics, Creative Biostructure can ensure that the performance of your initial hits is significantly

improved to meet the standards required to enter the lead optimization stage. We can prioritize and

classify the hit compounds identified through screening platforms and utilize advanced biophysical

techniques to analyze the target-ligand binding modes. In addition, computer-aided drug design (CADD)

tools can help you perform pharmacophore modeling, QSAR analysis, ADME/T prediction, etc. The

molecules after the hit to lead stage are the most likely potential leads, which have enhanced potency,

reduced off-target activity, and predicted physiochemical/metabolic properties of reasonable in

vivo pharmacokinetics.

References

1.Fuller N.; et al. An improved model for fragment-based lead generation at

AstraZeneca. Drug Discovery Today. 2016, 21(8): 1272-1283.

2.Alam S, Khan F. 3D-QSAR studies on Maslinic acid analogs for anticancer

activity against breast cancer cell line MCF-7. Scientific Reports. 2017, 7(1): 1-

3.Hoffer L.; et al. Chemistry-driven hit-to-lead optimization guided by

structure-based approaches. Molecular Informatics. 2018, 37(9-10): 1800059.

4.Neves B J.; et al. QSAR-based virtual screening: advances and applications

in drug discovery. Frontiers in Pharmacology. 2018, 9: 1275.

Related Services:

Lead Optimization and Preclinical Development

Natural Product Identification and Production

Hit Identification

References

1.Fuller N.; et al. An improved model for fragment-based lead generation at

AstraZeneca. Drug Discovery Today. 2016, 21(8): 1272-1283.

2.Alam S, Khan F. 3D-QSAR studies on Maslinic acid analogs for anticancer

activity against breast cancer cell line MCF-7. Scientific Reports. 2017, 7(1): 1-

3.Hoffer L.; et al. Chemistry-driven hit-to-lead optimization guided by

structure-based approaches. Molecular Informatics. 2018, 37(9-10): 1800059.

4.Neves B J.; et al. QSAR-based virtual screening: advances and applications

in drug discovery. Frontiers in Pharmacology. 2018, 9: 1275.

Related Services:

Lead Optimization and Preclinical Development

Natural Product Identification and Production

Hit Identification

References

1.Fuller N.; et al. An improved model for fragment-based lead generation at

AstraZeneca. Drug Discovery Today. 2016, 21(8): 1272-1283.

2.Alam S, Khan F. 3D-QSAR studies on Maslinic acid analogs for anticancer

activity against breast cancer cell line MCF-7. Scientific Reports. 2017, 7(1): 1-

3.Hoffer L.; et al. Chemistry-driven hit-to-lead optimization guided by

structure-based approaches. Molecular Informatics. 2018, 37(9-10): 1800059.

4.Neves B J.; et al. QSAR-based virtual screening: advances and applications

in drug discovery. Frontiers in Pharmacology. 2018, 9: 1275.

Related Services:

Lead Optimization and Preclinical Development

Natural Product Identification and Production

Hit Identification

References

1.Fuller N.; et al. An improved model for fragment-based lead generation at

AstraZeneca. Drug Discovery Today. 2016, 21(8): 1272-1283.

2.Alam S, Khan F. 3D-QSAR studies on Maslinic acid analogs for anticancer

activity against breast cancer cell line MCF-7. Scientific Reports. 2017, 7(1): 1-

3.Hoffer L.; et al. Chemistry-driven hit-to-lead optimization guided by

structure-based approaches. Molecular Informatics. 2018, 37(9-10): 1800059.

4.Neves B J.; et al. QSAR-based virtual screening: advances and applications

in drug discovery. Frontiers in Pharmacology. 2018, 9: 1275.

Related Services:

Lead Optimization and Preclinical Development

Natural Product Identification and Production

Hit Identification

References

1.Fuller N.; et al. An improved model for fragment-based lead generation at

AstraZeneca. Drug Discovery Today. 2016, 21(8): 1272-1283.

2.Alam S, Khan F. 3D-QSAR studies on Maslinic acid analogs for anticancer

activity against breast cancer cell line MCF-7. Scientific Reports. 2017, 7(1): 1-

3.Hoffer L.; et al. Chemistry-driven hit-to-lead optimization guided by

structure-based approaches. Molecular Informatics. 2018, 37(9-10): 1800059.

4.Neves B J.; et al. QSAR-based virtual screening: advances and applications

in drug discovery. Frontiers in Pharmacology. 2018, 9: 1275.

Related Services:

Lead Optimization and Preclinical Development

Natural Product Identification and Production

Hit Identification

References

1.Fuller N.; et al. An improved model for fragment-based lead generation at

AstraZeneca. Drug Discovery Today. 2016, 21(8): 1272-1283.

2.Alam S, Khan F. 3D-QSAR studies on Maslinic acid analogs for anticancer

activity against breast cancer cell line MCF-7. Scientific Reports. 2017, 7(1): 1-

3.Hoffer L.; et al. Chemistry-driven hit-to-lead optimization guided by

structure-based approaches. Molecular Informatics. 2018, 37(9-10): 1800059.

4.Neves B J.; et al. QSAR-based virtual screening: advances and applications

in drug discovery. Frontiers in Pharmacology. 2018, 9: 1275.

Related Services:

Lead Optimization and Preclinical Development

Natural Product Identification and Production

Hit Identification