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

1.9K
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...
1.9K
Biopharmaceutical Factors Influencing Drug Product Design: Overview01:22

Biopharmaceutical Factors Influencing Drug Product Design: Overview

322
Rational drug product design integrates knowledge of the drug’s physicochemical properties, formulation components, manufacturing techniques, and intended route of administration. Each factor influences the drug’s performance, including how it is released, absorbed, and eliminated in the body.The physicochemical properties of a drug—such as solubility, stability, and particle size—affect its compatibility with excipients and the choice of dosage form. Excipients, though...
322
Drug Discovery: Overview01:26

Drug Discovery: Overview

12.1K
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...
12.1K
Drug-Receptor Bonds01:25

Drug-Receptor Bonds

4.9K
Drug-receptor bonds are formed through various chemical forces when drugs interact with target cells. Covalent bonds, strong and irreversible, are exemplified by DNA-alkylating anticancer agents that inhibit cell division. However, such irreversible drug binding lacks selectivity and can modify the DNA of the surrounding healthy cells. Covalent binding often contributes to tissue toxicity, as seen with chloroform and paracetamol metabolites binding to the liver, causing hepatotoxicity.
In...
4.9K
Ligand Binding Sites02:40

Ligand Binding Sites

15.3K
Proteins are dynamic macromolecules that carry out a wide variety of essential processes; however, the activities of most proteins depend on their interactions with other molecules or ions, known as ligands.
Protein-ligand interactions are quite specific; even though numerous potential ligands surround a cellular protein at any given time, only a particular ligand can bind to that protein. Moreover, a ligand binds only to a dedicated area on the surface of the protein, known as the...
15.3K
Ligand Binding Sites02:40

Ligand Binding Sites

8.9K
8.9K

You might also read

Related Articles

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

Sort by
Same author

Anti-Tumor Activity of Cdk2/9 Inhibitor Fadraciclib in an In Vivo Model of Temozolomide Refractory Neuroblastoma.

Molecular cancer therapeutics·2026
Same author

Human DEAH-box helicase 8 regulates HSF1-mediated stress response and cancer-associated pre-mRNA splicing in tumour cells.

NAR cancer·2026
Same author

Intracameral Cefuroxime Use in Cataract Surgery After Penicillin Allergy Reclassification.

JAMA ophthalmology·2026
Same author

R-loop editing by DNA cytosine deaminase APOBEC3B modulates the activity of oestrogen receptor enhancers.

Nature communications·2026
Same author

Unhooking the Hook: Optimization of the Aurora A Targeting PROTAC <b>JB170</b> to <b>CCT400028</b>, an <i>In Vitro</i> Degrader Chemical Probe.

Journal of medicinal chemistry·2026
Same author

Discovery of first-in-class inhibitors of the TRF1:TIN2 protein:protein interaction by fragment screening.

Scientific reports·2025

Related Experiment Video

Updated: Feb 19, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
08:49

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

1.3K

Structure-based drug design: aiming for a perfect fit.

Rob L M van Montfort1,2, Paul Workman1

  • 1Cancer Research UK Cancer Therapeutics Unit, Division of Cancer Therapeutics, The Institute of Cancer Research, London SM2 5NG, U.K. rob.vanmontfort@icr.ac.uk paul.workman@icr.ac.uk.

Essays in Biochemistry
|November 10, 2017
PubMed
Summary

Structure-based drug design (SBDD) accelerates the discovery of new medicines by utilizing 3D target structures. Advances in SBDD, especially fragment-based approaches, have yielded successful cancer drugs.

Keywords:
drug discovery and designpharmacologystructure

More Related Videos

Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors
10:33

Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors

Published on: October 26, 2015

11.9K
Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions
08:31

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

Published on: December 1, 2020

5.6K

Related Experiment Videos

Last Updated: Feb 19, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
08:49

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

1.3K
Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors
10:33

Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors

Published on: October 26, 2015

11.9K
Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions
08:31

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

Published on: December 1, 2020

5.6K

Area of Science:

  • Structural biology and computational biology
  • Drug discovery and medicinal chemistry

Background:

  • The determination of three-dimensional protein structures has been pivotal in drug discovery since the mid-20th century.
  • Structure-based drug design (SBDD) integrates computational and structural biology, with significant academic and industrial contributions.
  • Integral membrane proteins present unique challenges in drug design, but SBDD approaches are advancing their study.

Approach:

  • This editorial provides an overview of SBDD's impact, highlighting progress in challenging areas like integral membrane proteins.
  • Fragment-based drug design (FBDD) has shown remarkable success, leading to numerous clinical candidates and FDA-approved oncology drugs.
  • The issue summarizes current SBDD advancements, including novel technologies and methodologies.

Key Points:

  • New developments like X-ray free-electron lasers, cryo-electron microscopy, open science, and targeted protein degradation are shaping the field.
  • SBDD is crucial for creating high-quality chemical tools to investigate biological processes and disease mechanisms.
  • Ensuring scientific rigor in SBDD and related drug discovery methods is essential for robust data and patient benefit.

Conclusions:

  • SBDD significantly enhances drug discovery by leveraging structural information of therapeutic targets.
  • Fragment-based approaches within SBDD have demonstrated clinical success, particularly in oncology.
  • Maintaining rigorous scientific standards across all drug discovery methods is vital for accelerating therapeutic development and patient outcomes.