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

699
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...
699
Protein Organization01:24

Protein Organization

6.4K
Proteins are polymers of amino acid residues. They are versatile and responsible for different cellular functions, including DNA replication, molecular transport, catalysis, and structural support. Proteins have a hierarchical structure comprising at least three levels of organization: primary, secondary, and tertiary structure. Some large proteins have a quaternary structure where individual protein subunits are linked together.
The primary structure of a protein is its amino acid sequence....
6.4K
Drug Discovery: Overview01:26

Drug Discovery: Overview

7.8K
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...
7.8K
Protein and Protein Structure02:15

Protein and Protein Structure

79.4K
Proteins are one of the most abundant organic molecules in living systems and have the most diverse range of functions of all macromolecules. Proteins may be structural, regulatory, contractile, or protective. They may serve in transport, storage, or membranes; or they may be toxins or enzymes. Their structures, like their functions, vary greatly. They are all, however, amino acid polymers arranged in a linear sequence.
A protein's shape is critical to its function. For example, an enzyme...
79.4K
Protein Folding01:22

Protein Folding

117.8K
Overview
117.8K
Ligand Binding Sites02:40

Ligand Binding Sites

12.8K
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...
12.8K

You might also read

Related Articles

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

Sort by
Same author

Dual Targeting of Nucleotidase-Dependent and -Independent Functions via PROTAC-Mediated CD73 Degradation.

Journal of medicinal chemistry·2026
Same author

Multiplex MALDI-TOF MS for simultaneous detection of 13 goose viruses.

Journal of virological methods·2026
Same author

A broad-spectrum inhibitor of copper-exporting P<sub>1B</sub>-type ATPases.

Proceedings of the National Academy of Sciences of the United States of America·2026
Same author

Development of a Direct-to-Biology Platform to Discover Potent MNK Inhibitors.

Journal of medicinal chemistry·2026
Same author

Dual NHC/HAT-Promoted Esterification to Access α-Aryl Glycines.

Advanced synthesis & catalysis·2026
Same author

C(sp<sup>3</sup>)-H Carboxylation via Carbene/Photoredox Cooperative Catalysis.

ACS catalysis·2026
Same journal

Genetic Impacts on Variability of Body Fat Distribution Uncover Gene-Environment and Gene-Gene Interactions.

bioRxiv : the preprint server for biology·2026
Same journal

16S ribosomal RNA modification drives transcript-specific translation efficiency.

bioRxiv : the preprint server for biology·2026
Same journal

FlcE latches onto the FliL-stator complex to turbocharge flagellar motility in <i>Borrelia burgdorferi</i>.

bioRxiv : the preprint server for biology·2026
Same journal

Synaptic pruning, myelination and the emergence of psychiatric disorders in late adolescence.

bioRxiv : the preprint server for biology·2026
Same journal

Structural and functional insights into the Rcs phosphorelay.

bioRxiv : the preprint server for biology·2026
Same journal

The structural basis of RanGAP1 regulation and catalysis in nuclear transport.

bioRxiv : the preprint server for biology·2026
See all related articles

Related Experiment Video

Updated: Jun 24, 2025

Modeling an Enzyme Active Site using Molecular Visualization Freeware
14:37

Modeling an Enzyme Active Site using Molecular Visualization Freeware

Published on: December 25, 2021

9.8K

Protein Structure Inspired Drug Discovery.

Fangfang Qiao1, T Andrew Binknowski2, Irene Broughan3

  • 1Eppley Institute for Research in Cancer, University of Nebraska Medical Center, Omaha, NE 68105, USA.

Biorxiv : the Preprint Server for Biology
|June 3, 2024
PubMed
Summary
This summary is machine-generated.

This study introduces a novel drug discovery approach using unique 3D protein structural motifs to identify new cancer therapeutics. A compound, Dxr2-017, selectively killed melanoma cells by inducing anoikis, demonstrating the strategy

Keywords:
anoikiscomputational biologydrug discoveryprotein structure

More Related Videos

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

5.0K
Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source
08:35

Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source

Published on: May 29, 2021

5.2K

Related Experiment Videos

Last Updated: Jun 24, 2025

Modeling an Enzyme Active Site using Molecular Visualization Freeware
14:37

Modeling an Enzyme Active Site using Molecular Visualization Freeware

Published on: December 25, 2021

9.8K
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

5.0K
Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source
08:35

Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source

Published on: May 29, 2021

5.2K

Area of Science:

  • Biochemistry
  • Structural Biology
  • Drug Discovery

Background:

  • Protein structure dictates function, guiding drug discovery towards understanding compound-protein interfaces.
  • Unique 3D structural motifs may represent primary functional information for novel therapeutic agent discovery.

Purpose of the Study:

  • To investigate the hypothesis that unique 3D structural motifs can drive the discovery of novel therapeutic agents.
  • To identify compounds with selective efficacy against cancer cells by analyzing protein structural motifs.

Main Methods:

  • Utilized a physics-based protein structure analysis platform for high-speed, computationally intensive analysis of a protein x-ray crystallographic library.
  • Screened a 60 million compound library against eight potential binding pockets on six different proteins.
  • Evaluated compound efficacy against human cancer cell lines (breast, prostate, colon, lung) and toxicity against human bone marrow stem cells using eight-day colony formation assays.

Main Results:

  • Identified compounds selectively inhibiting cancer growth in two specific pockets on separate proteins.
  • Discovered Dxr2-017, which showed selective activity against human melanoma cells (IC50 of 19 nM) with minimal stem cell toxicity.
  • Demonstrated that Dxr2-017 induces anoikis, a programmed cell death pathway, in cancer cells.

Conclusions:

  • Protein structure analysis, focusing on unique 3D motifs, provides high-value primary data for novel therapeutic discovery.
  • This approach is widely applicable and offers a proof-of-concept for identifying targeted therapeutics, such as Dxr2-017 for melanoma.
  • The identification of a bacterial target for Dxr2-017 supports the strategy of focusing on unique structural motifs independent of established human targets.