Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Structure-Activity Relationships and Drug Design01:28

Structure-Activity Relationships and Drug Design

Drug design is a dynamic field that involves discovering and developing new medications based on specific biological targets. This process heavily relies on structure-activity relationships (SAR) and quantitative structure-activity relationships (QSAR) to guide the design and optimization of efficient drugs.
SAR studies the intricate relationship between a drug's chemical structure and biological activity. It focuses on understanding how modifications to a drug's structure can influence its...
Drug Discovery: Overview01:26

Drug Discovery: Overview

Drug discovery is a multifaceted process involving extensive screening, testing, and optimization of lead compounds to identify potential new drugs for therapeutic use. It combines several approaches, including screening large numbers of natural products, chemical modification of known active molecules, identification of new drug targets, and rational design based on biological mechanisms and drug-receptor structure. These approaches are carried out in both academic research laboratories and...
G Protein-coupled Receptors01:15

G Protein-coupled Receptors

G Protein-Coupled Receptors or GPCRs are membrane-bound receptors that transiently associate with heterotrimeric G proteins and induce an appropriate response to sensory stimuli such as light, odors, hormones, cytokines, or neurotransmitters.
GPCRs are also called heptahelical, 7TM, or serpentine receptors, and consist of seven (H1-H7) transmembrane alpha-helices that span the bilayer to form a cylindrical core. The transmembrane helices are connected by three extracellular loops and three...
Prodrugs01:30

Prodrugs

Prodrugs are a class of pharmaceutical compounds that undergo a biotransformation process within the body to be converted into a pharmacologically active drug. Prodrugs are designed to improve the therapeutic properties of the parent drug, such as enhancing bioavailability, increasing stability, or reducing toxicity. The concept of prodrugs revolves around modifying the chemical structure of the original drug to make it more effective or convenient for administration.
Prodrugs help overcome...

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Unraveling MARCH6's role in cancer progression and metabolism from protein homeostasis to oncogenesis.

Pharmacological research·2026
Same author

Bioorthogonal Iridium(III) Complexes: A New Frontier of Luminescent Iridium(III) Complexes for Biomedical Applications.

Chemistry (Weinheim an der Bergstrasse, Germany)·2026
Same author

Dual-Receptor Targeted Imaging of Cancer Cells with a Bioorthogonal Iridium(III)-Based Probe.

Inorganic chemistry·2026
Same author

Dissecting Mitochondrial Sulfur Dioxide Generation Mechanism in Rheumatoid Arthritis with a NIR Luminogenic Iridium(III)-Based Probe.

Analytical chemistry·2026
Same author

Imaging mitochondrial hydrogen sulfide in multicellular spheroids using a near-infrared iridium(III) complex.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy·2026
Same author

Facilitating Quantitation of Mitochondrial G-Quadruplex DNA with an Iridium(III) Two-Photon Phosphorescence Lifetime Imaging Probe.

Journal of the American Chemical Society·2025

Related Experiment Video

Updated: May 15, 2026

Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System
05:10

Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System

Published on: December 11, 2016

Drug repositioning by structure-based virtual screening.

Dik-Lung Ma1, Daniel Shiu-Hin Chan, Chung-Hang Leung

  • 1Department of Chemistry, Hong Kong Baptist University, Kowloon Tong, Hong Kong, China. edmondma@hkbu.edu.hk

Chemical Society Reviews
|January 5, 2013
PubMed
Summary
This summary is machine-generated.

Drug repositioning leverages approved drugs with known safety profiles for new uses, reducing development costs. Advances in structure-based virtual screening accelerate identifying new therapeutic applications for existing medications.

More Related Videos

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
10:29

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors

Published on: May 9, 2025

Related Experiment Videos

Last Updated: May 15, 2026

Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System
05:10

Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System

Published on: December 11, 2016

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
10:29

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors

Published on: May 9, 2025

Area of Science:

  • Drug discovery and development
  • Computational chemistry
  • Pharmacology

Background:

  • Approved drugs possess established pharmacokinetic and toxicological profiles.
  • Drug repositioning offers a cost-effective alternative to de novo drug discovery.
  • Early-stage compound testing is expensive and time-consuming.

Purpose of the Study:

  • To review the principles and recent advances in structure-based virtual screening.
  • To highlight the synergy of in silico techniques in drug repositioning.
  • To demonstrate the application of virtual screening in identifying new drug indications.

Main Methods:

  • Structure-based virtual screening methodologies.
  • In silico drug screening and analysis.
  • Review of recent case studies and reports.

Main Results:

  • Technological advancements enable rapid screening of drug libraries.
  • Virtual screening offers a cost-effective approach to identify potential drug candidates.
  • Successful examples of drug repositioning using in silico methods were presented.

Conclusions:

  • Structure-based virtual screening is a powerful tool for drug repositioning.
  • In silico techniques significantly enhance the efficiency of identifying new therapeutic uses for existing drugs.
  • The integration of virtual screening accelerates the drug discovery and development pipeline.