Lead Optimization Services
The objective of lead compound optimization is to enhance compound properties by achieving an improved structure, resulting in desired performance. Alfa Cytology offers lead optimization services, assisting clients throughout the lead compound optimization phase. Our focus lies in the selection and evaluation of lead drugs, providing clients with reliable and accurate information through a scientific approach.
Overview of Lead Optimization
In leukemia drug development, lead compound optimization is a bottleneck in the drug discovery process, aimed at addressing issues such as poor pharmacokinetics, emerging resistance, adverse effects, and drug-drug interactions associated with known drugs. Simplifying the structure of large or complex lead compounds can aid in discovering drug-like molecules that exhibit improved synthetic accessibility and favorable pharmacodynamic/pharmacokinetic profiles.
Fig. 1. Structural simplification is a powerful strategy for improving the efficiency. (Wang, S. et al., 2019)
Lead compound optimization is a complex iterative phase in drug discovery and development. By collaborating with us, we will guide you through the optimization process for your lead compound. Our services focus on enhancing target specificity, selectivity, and potency by studying the toxicity, efficacy, stability, and bioavailability of the lead compound. These assessments are conducted on compounds discovered through computational or assay-based lead discovery methods.
Lead Optimal Design
Our lead optimization services are performed on compounds that have been discovered through computational or assay-based lead discovery.
Medicinal Chemistry
We provide the iterative process of chemical modifications helps refine lead compounds and optimize their drug-like properties, ultimately leading to the identification of promising candidates for further development.
- SAR Analysis
- Structure-based Drug Design
- ADME Optimization
- Iterative Optimization
Computer-Aided Drug Design (CADD)
Our CADD services employ advanced computational tools and simulations to identify novel compounds and support lead optimization in medicinal chemistry, facilitating the drug discovery process.
- Molecular Modeling
- Virtual Screening
- Predictive ADME/Toxicity Modeling
- SAR Analysis
Lead Optimization Strategies
Molecular Modification
To enhance the utility of previously identified leads, chemical modifications are applied by introducing or removing specific functional groups. These modifications aim to improve the physical, chemical, and pharmacological.
Optimizing Interactions
By applying essential chemical modifications to previously identified leads, the interaction and activity of the protein-ligand can be enhanced, optimizing their interaction with the binding site of the protein.
Preclinical Evaluation
After completing the optimization design for you using CADD and medicinal chemistry approaches, we are also capable of providing synthesis services. Furthermore, we conduct experimental validation through in vitro and in vivo assays to confirm the effectiveness, selectivity, and safety of the optimized compounds.
Lead Optimization Process
Optimal Design
Drug Synthesis
Characterization
Deliver Results
Alfa Cytology, a leading CRO in early-stage drug discovery, assists you in achieving success in the lead compound optimization phase. Our aim is to enhance the pharmacological characteristics and DMPK properties of lead compounds, including efficacy, safety, pharmacokinetics, and pharmacodynamics, making them suitable candidates for further development. Reach out to us for more detailed information.
Reference
- Wang, S.; et al. Structural simplification: an efficient strategy in lead optimization. Acta Pharmaceutica Sinica B. 2019, 9(5): 880-901.