University:
The University Of Western Ontario
Course:
Biology 2290F | Scientific Method in Biology
Academic year:

2024
Views:

461

Pages:

2
Author:

Kyuwon J.

Cheminformatics ● Definition and Role ○ Manages and analyzes chemical information. ○ Stores, retrieves, and visualizes chemical structures. ○ Supports large chemical library handling. ● Applications in Drug Discovery ○ Virtual Screening ■ Compares chemical structures in databases. ○ Structure-Activity Relationship (SAR) Analysis ■ Links molecular structure to biological activity. ○ Molecular Docking & Target Prediction ■ Predicts ligand-target interactions. ● Integration with Other Fields ○ Works with bioinformatics for genomic and proteomic data. ○ Enhances structure-based & ligand-based drug design. ○ Supports predictive toxicology to estimate adverse effects. Impact of Genomics and Proteomics (Target Identification & Validation) ● Genomics in Drug Discovery ○ Identifies disease-associated genes. ○ Enables personalized medicine. ○ Supports biomarker discovery. ● Proteomics in Drug Discovery ○ Studies protein expression & modifications. ○ Identifies new drug targets. ○ Links proteins to disease mechanisms. ● Target Validation ○ Confirms biological target relevance. ○ Uses gene knockouts, RNAi, CRISPR. ○ Employs biochemical, cellular, & in vivo models. High-Throughput Screening (HTS) in Drug Development ● Concept & Process ○ Tests thousands to millions of compounds. ○ Uses robotics, microfluidics, & imaging. ○ Identifies lead compounds. ● Challenges & Limitations ○ High attrition rates – many fail in later stages. ○ False positives & negatives – needs secondary validation. ○ Optimization bottlenecks – refining leads is complex. ● Computational Enhancements ○ AI-driven virtual screening reduces lab testing. ○ Machine learning predicts drug properties. ○ Big data analytics integrates multi-omics info.