final 1 Flashcards
It uses computer simulations to predict the behavior of molecules and their interactions.
Molecular modeling
It virtually tests millions of compounds against target molecules, identifying potential drug candidates for further research and development.
In silico screening
It automates the testing of large libraries of compounds against a specific target.
High Throughput Screening
It enables researchers to rapidly screen thousands or millions of compounds, identifying potential drug candidates.
High Throughput Screening
HTS helps identify “___,” compounds that show promising activity against the target, paving the way for further investigation.
hits
It systematically generates and screens
large libraries of chemical compounds.
It involves systematically combining different building blocks to create diverse molecules.
Combinatorial chemistry
These libraries are then screened against biological targets to identify potential drug candidates, enabling the exploration of a vast chemical space.
Compound Libraries
It provides crucial insights into the three-
dimensional structures of proteins, their interactions with other molecules, and their functional roles in biological processes.
Structural biology
These strategies focus on designing drugs that bind to specific protein sites, modulating their activity and potentially inhibiting disease progression.
Protein targeting
These are used to understand how fragments bind.
X-ray crystallography and NMR
Leads with improved properties are further optimized to become drug
candidates.
Fragment-Based Drug Discovery
In Fragment-Based Drug Discovery, Fragments are modified and combined to improve:
binding affinity and potency
Starts with small molecules, “fragments”, that bind to a target protein.
Fragment-Based Drug Discovery
It allows simultaneous analysis of multiple cellular parameters in a single experiment, providing a comprehensive
view of drug effects.
High-Content Screening (HCS)
This approach enhances data quality and accelerates the identification of promising drug candidates.
High-Content Screening (HCS)
They mimic the complex environment of living tissues, providing a more accurate
representation of drug responses.
Three-dimensional cell culture models
These models improve prediction of drug efficacy and reduce the need for animal testing.
Three-dimensional cell culture models
It studies the entire genome, including genes, mutations, and variations. This provides insights into genetic predispositions to diseases and potential drug targets.
Genomics
It focuses on proteins, analyzing their structure, function, and interactions. It helps identify biomarkers and understand how drugs affect protein pathways.
Proteomics
Combining __ and ___ offers a more comprehensive understanding of disease mechanisms. It enables the development of personalized therapies based on individual genetic profiles and protein expression patterns.
genomics
proteomics
AI can analyze vast datasets to identify potential drug targets, speeding up the discovery process.
Target Identification (Artificial Intelligence and Machine Learning)
These can rapidly screen millions of molecules to identify promising drug candidates.
AI algorithms
They can predict drug efficacy, safety, and pharmacokinetic properties, reducing the risk of failure in later stages.
AI models
AI can optimize ___, making them more
efficient and cost-effective
clinical trial designs
