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

Inhibition of Cdk Activity02:34

Inhibition of Cdk Activity

4.7K
The orderly progression of the cell cycle depends on the activation of Cdk protein by binding to its cyclin partner. However, the cell cycle must be restricted when undergoing abnormal changes. Most cancers correlate to the deregulated cell cycle, and since Cdks are a central component of the cell cycle, Cdk inhibitors are extensively studied to develop anticancer agents. For instance, cyclin D associates with several Cdks, such as Cdk 4/6, to form an active complex. The cyclin D-Cdk4/6 complex...
4.7K
Targeted Cancer Therapies02:57

Targeted Cancer Therapies

7.5K
The targeted cancer therapies, also known as “molecular targeted therapies,” take advantage of the molecular and genetic differences between the cancer cells and the normal cells. It needs a thorough understanding of the cancer cells to develop drugs that can target specific molecular aspects that drive the growth, progression, and spread of cancer cells without affecting the growth and survival of other normal cells in the body.
There are several types of targeted therapies against...
7.5K
Combination Therapies and Personalized Medicine02:50

Combination Therapies and Personalized Medicine

4.9K
Combining two or more treatment methods increases the life span of cancer patients while reducing damage to vital organs or tissue from the overuse of a single treatment. Combination therapy also targets different cancer-inducing pathways, thus reducing the chances of developing resistance to treatment.
The combination of the drug acetazolamide and sulforaphane is a good example of combination therapy to treat cancer. The cells in the interior of a large tumor often die due to the hypoxic and...
4.9K
Drugs that Stabilize Microtubules01:15

Drugs that Stabilize Microtubules

2.0K
Microtubules are dynamic structures that undergo cycles of catastrophe and rescue. The microtubules play a central role in cell division by forming the spindle apparatus for segregating the chromosomes. This makes them ideal targets for regulating dividing cells in tumors and malignant cancer cells. Microtubule stabilizing drugs help stabilize the microtubule formation and promote its polymerization. Paclitaxel was the first microtubule stabilizing agent used as anticancer drug in chemotherapy...
2.0K

You might also read

Related Articles

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

Sort by
Same author

Enzyme-Regulated Non-Thermal Fluctuations Enhance Ligand Diffusion and Receptor-Mediated Endocytosis.

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

The <i>Rac1</i> Promoter as a Molecular Nexus for Antihypertensive Therapy Resistance and Enhanced Malaria Susceptibility.

International journal of hypertension·2026
Same author

MYC and AP-1 oncogenes cooperatively bind enhancers to rewire transcription.

NAR cancer·2026
Same author

Modeling tumor transport and growth with poroelastic biopolymer networks.

Soft matter·2026
Same author

Exploring the Antimicrobial Potential of a Novel Phage-Derived Lytic Protein Against <i>Pseudomonas aeruginosa</i>.

Current issues in molecular biology·2026
Same author

QuickDraw: detecting HIV in whole blood using an integrated paper-based consumable that enables direct amplification of purified RNA from paper.

Lab on a chip·2026
Same journal

Ultrashort Echo Time and Fast Field Echo Imaging for Spine Bone Imaging with Application in Spondylolysis Evaluation.

Computation (Basel, Switzerland)·2025
Same journal

Mathematical Modeling of SARS-CoV-2 Omicron Wave under Vaccination Effects.

Computation (Basel, Switzerland)·2024
Same journal

Hexatetra-Carbon: A Novel Two-Dimensional Semiconductor Allotrope of Carbon.

Computation (Basel, Switzerland)·2022
Same journal

Computational Studies of the Intestinal Host-Microbiota Interactome.

Computation (Basel, Switzerland)·2021
Same journal

Computational View toward the Inhibition of SARS-CoV-2 Spike Glycoprotein and the 3CL Protease.

Computation (Basel, Switzerland)·2020
Same journal

SBMLSimulator: A Java Tool for Model Simulation and Parameter Estimation in Systems Biology.

Computation (Basel, Switzerland)·2020
See all related articles

Related Experiment Video

Updated: Jun 22, 2025

Pre-clinical Evaluation of Tyrosine Kinase Inhibitors for Treatment of Acute Leukemia
10:49

Pre-clinical Evaluation of Tyrosine Kinase Inhibitors for Treatment of Acute Leukemia

Published on: September 18, 2013

18.1K

Design of Inhibitors That Target the Menin-Mixed-Lineage Leukemia Interaction.

Moses N Arthur1,2, Kristeen Bebla3,4, Emmanuel Broni3

  • 1Department of Parasitology, Noguchi Memorial Institute for Medical Research (NMIMR), College of Health Sciences (CHS), University of Ghana, Legon, Accra LG 581, Ghana.

Computation (Basel, Switzerland)
|June 28, 2024
PubMed
Summary
This summary is machine-generated.

Researchers discovered novel natural compounds that inhibit menin, a key protein in mixed-lineage leukemia (MLL). These compounds show promise as potential new treatments for MLL, a challenging infant leukemia.

Keywords:
computer-aided drug designmeninmixed-lineage leukemiamolecular dynamics

More Related Videos

Continuous Fluorescence-Based Endonuclease-Coupled DNA Methylation Assay to Screen for DNA Methyltransferase Inhibitors
06:07

Continuous Fluorescence-Based Endonuclease-Coupled DNA Methylation Assay to Screen for DNA Methyltransferase Inhibitors

Published on: August 5, 2022

2.6K
Pooled shRNA Library Screening to Identify Factors that Modulate a Drug Resistance Phenotype
14:51

Pooled shRNA Library Screening to Identify Factors that Modulate a Drug Resistance Phenotype

Published on: June 17, 2022

3.2K

Related Experiment Videos

Last Updated: Jun 22, 2025

Pre-clinical Evaluation of Tyrosine Kinase Inhibitors for Treatment of Acute Leukemia
10:49

Pre-clinical Evaluation of Tyrosine Kinase Inhibitors for Treatment of Acute Leukemia

Published on: September 18, 2013

18.1K
Continuous Fluorescence-Based Endonuclease-Coupled DNA Methylation Assay to Screen for DNA Methyltransferase Inhibitors
06:07

Continuous Fluorescence-Based Endonuclease-Coupled DNA Methylation Assay to Screen for DNA Methyltransferase Inhibitors

Published on: August 5, 2022

2.6K
Pooled shRNA Library Screening to Identify Factors that Modulate a Drug Resistance Phenotype
14:51

Pooled shRNA Library Screening to Identify Factors that Modulate a Drug Resistance Phenotype

Published on: June 17, 2022

3.2K

Area of Science:

  • Biochemistry
  • Pharmacology
  • Computational Chemistry

Background:

  • Mixed-lineage leukemia (MLL) poses a significant therapeutic challenge, particularly in infants, due to limited treatment options.
  • MLL is characterized by chromosomal translocations involving the KMT2A gene, leading to oncogenic MLL fusion proteins.
  • The menin protein acts as a crucial oncogenic cofactor for MLL fusion proteins, presenting a viable target for novel anti-leukemia therapies.

Purpose of the Study:

  • To identify novel inhibitors of the menin protein using a structure-based drug design (SBDD) approach.
  • To discover potential therapeutic agents for MLL-mediated leukemia from natural product libraries.

Main Methods:

  • Generated a 3D protein model of menin (Protein ID: 4GQ4) using EasyModeller 4.0 and I-TASSER.
  • Virtually screened a library of 25,131 natural ligands against the menin protein using AutoDock Vina.
  • Performed molecular dynamics simulations and MM/PBSA computations to assess the stability and binding mechanisms of menin-ligand complexes.

Main Results:

  • Identified 10 top-ranking natural compounds with significant binding energies to menin, including ZINC000103526876 (-11.0 kcal/mol).
  • Determined crucial amino acid residues involved in ligand binding, such as Phe243, Met283, and Cys246.
  • Confirmed anti-menin properties for specific compounds (MI-2-2, PubChem CIDs 71777742, 36294) and predicted favorable pharmacological profiles with negligible toxicity.

Conclusions:

  • The identified natural compounds demonstrate potential as novel therapeutic agents for MLL-mediated leukemia.
  • Further experimental validation is warranted to confirm the anti-leukemic activity of these promising compounds.
  • These findings support the exploration of natural products as a source for developing effective treatments against MLL.