What is lead optimization in drug discovery?
Lead optimization is a critical process that culminates in the identification of a preclinical candidate. The most promising hit series, once they are identified through hit-to-lead efforts, advance into the lead optimization stage of drug discovery.
Which method is useful for drug discovery?
For drug discovery, two different complementary approaches can be applied: classical pharmacology, also known as phenotypic drug discovery, which is the historical basis of drug discovery, and reverse pharmacology, also designated target-based drug discovery.
How lead optimization is done?
Optimization of the compounds is done by medicinal chemists using advanced organic synthesis methods or by biotechnological methods for the production of biological products. …
What is virtual screening in drug discovery?
Virtual screening (VS) is a computational technique used in drug discovery to search libraries of small molecules in order to identify those structures which are most likely to bind to a drug target, typically a protein receptor or enzyme.
What are assays in drug discovery?
Assays are investigative procedures that qualitatively assess a compound or examine a compound’s effects on identified molecular, cellular, or biochemical targets. The first steps in drug development are the identification and validation of potential drug targets involved in human disease.
What is lead identification and lead optimization?
Lead identification and optimization is a crucial step in the drug discovery program. Aim of lead optimization is to maximize bonded and non-bonded interactions with the active site of selected drug targets to increase selectivity, improve activity and reduce side effects.
Which techniques are used in drug designing?
Computer-aided drug design
- hit identification using virtual screening (structure- or ligand-based design)
- hit-to-lead optimization of affinity and selectivity (structure-based design, QSAR, etc.)
- lead optimization of other pharmaceutical properties while maintaining affinity.
What is difference between docking and virtual screening?
Docking programs predict poses for flexible ligands using conformational search methods, while scoring functions provide a quantitative measure of fit quality for each docked pose. In structure-based virtual screening (SBVS), a chemical database is computationally screened against a target, using molecular docking.
What is Pharmacophore Modelling?
A pharmacophore model is the ensemble of common steric and electronic features that are necessary to ensure the optimal molecular interactions with a specific biological target and to trigger (or block) its biological response.
What are different types of assays?
The main types of assay used for blood screening are:
- Immunoassays (IAs): — Enzyme immunoassays (EIAs) — Chemiluminescent immunoassays (CLIAs) — Haemagglutination (HA)/particle agglutination (PA) assays. — Rapid/simple single-use assays (rapid tests)
- Nucleic acid amplification technology (NAT) assays.
How is lead optimization used in drug discovery?
Lead Optimization Lead optimization is a critical process that culminates in the identification of a preclinical candidate. The most promising hit series, once they are identified through hit-to-lead efforts, advance into the lead optimization stage of drug discovery.
What makes a good screening library for drug discovery?
Companies are increasingly recognizing the need to accurately determine if they have a truly druggable target. The design of the screening library also is critical. One needs high-quality libraries that also eliminate such things as reactive functional groups. This helps reduce false positives.
What is the first step in drug discovery?
“At the very beginning, one needs to evaluate risks before committing significant resources to the project. First, of course, one must verify that the target is viable. Companies are increasingly recognizing the need to accurately determine if they have a truly druggable target. The design of the screening library also is critical.
How is high content cellular imaging used in drug discovery?
High-content cellular imaging also provides tools to quantitatively analyze cellular events in order to evaluate compound potency and verify structure activity relationships. “For example, we analyze phosphorylation and subcellular localization of endogenous target proteins,” Dr. Gruenbaum says.