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

2024
Views:

331

Pages:

3
Author:

Kyuwon J.

Medicinal Chemistry ● Emergence of Medicinal Chemistry ○ Developed in the mid-20th century. ○ Transition from natural product isolation to synthetic drug development. ○ Use of structure-activity relationships (SAR) to optimize drugs. ● Rational Drug Design ○ Drug discovery based on… ■ molecular structure and biological function. ○ X-ray crystallography & NMR ○ Computer-aided drug design (CADD) Birth of a New Drug Discovery Paradigm ● High-Throughput Screening (HTS) ○ Rapid screening of thousands to millions of compounds. ○ Uses… ■ Robotics ■ Microfluidics ■ Automation. ● Structure-Based Drug Design (SBDD) ○ Uses macromolecular structures for drug modeling. ○ Molecular docking predicts ligand-target interactions. ● Fragment-Based Drug Discovery (FBDD) ○ Screens low-molecular-weight fragments for binding. ○ Fragments optimized into drug-like compounds. ● Site-Directed Mutagenesis ○ Alters specific protein residues to study ligand interactions. ○ Helps refine drug binding & selectivity. Current Status & Future Trends ● Computational Chemistry & AI ○ Machine learning & deep learning predict drug properties. ○ AI-enhanced docking & optimization of lead compounds. ● Personalized Medicine ○ Tailors drugs based on genetic, environmental, and lifestyle factors. ○ Pharmacogenomics predicts drug response variations. ● Simulation-Based Drug Discovery ○ Uses virtual screening to identify potential drug candidates. ○ Molecular dynamics simulations improve binding predictions. ● AI-Driven Drug Repurposing ○ Identifies new uses for existing drugs. ○ Accelerates FDA approval by bypassing early trials. Drug Discovery Pipeline ● Target Identification ○ Identifies disease-associated biological molecules. ● Hit Identification ○ Screens compounds for initial therapeutic potential. ● Lead Optimization ○ Enhances efficacy, selectivity, and bioavailability. ● Preclinical Testing ○ In vitro & in vivo studies for safety & metabolism. ● Clinical Trials ○ Phase 1: Tests safety & dosage. ○ Phase 2: Assesses efficacy & side effects. ○ Phase 3: Confirms effectiveness in large groups. ● Regulatory Approval ○ New Drug Application (NDA) submitted to FDA/EMA. ● Post-Marketing Surveillance ○ Long-term safety monitoring after release.