What is lead optimization basic concept?
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Lead optimization is the process of improving the properties of initial hit molecules to meet predetermined criteria based on the therapeutic hypothesis. It involves determining the pharmacological properties of these molecules, such as affinity, efficacy, allosteric cooperativity, and binding kinetics. These parameters can be used to predict the activity of a compound in different experimental systems, allowing for translational use . Lead optimization is a complex process that aims to optimize molecular structures with respect to essential properties for drug development. Traditional approaches involving in-vitro laboratory analysis are time-consuming and expensive, so in-silico approaches, such as using neural network models, have been proposed to reduce the number of required laboratory tests . The main objective of lead optimization is to develop preclinical candidates with improved effectiveness, selectivity, protein binding, and pharmacokinetic parameters . Lead optimization involves maximizing interactions with the active site of drug targets to increase selectivity, improve activity, and reduce side effects . It also includes optimizing primary therapeutic activity, as well as ADME properties and safety profile, to produce a viable drug candidate .
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| Papers (4) | Insight |
|---|---|
| The basic concept of lead optimization is to maximize interactions with the active site of drug targets to improve selectivity, activity, and reduce side effects. | |
| The basic concept of lead optimization is to develop preclinical candidates from "Hit" or "Lead" molecules by improving their effectiveness and selectivity towards the target disease. | |
| Lead optimization is the process of optimizing molecular structures to improve their properties for drug development, typically involving screening and identification of molecules with desirable properties from large libraries. | |
| The paper discusses lead optimization as the process of improving the properties of initial hit molecules to meet predetermined criteria based on the therapeutic hypothesis. |
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