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

Quantitative Aspects of Drug-Receptor Interaction01:30

Quantitative Aspects of Drug-Receptor Interaction

The receptor occupancy theory connects a drug's response to the number of occupied receptors. With higher drug concentrations, more receptors are occupied, leading to increased responses. The formation of drug-receptor complexes involves association and dissociation rates, which reach equilibrium when the forward and backward reactions are equal. The equilibrium association constant (Ka) and its inverse, the equilibrium dissociation constant (Kd), indicate drug affinity. Higher Ka and lower Kd...
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-Receptor Interactions01:29

Drug-Receptor Interactions

Drug-receptor interaction describes the binding of receptors by drugs, but not all drug-receptor interactions result in activation and tissue response. For instance, the binding of agonists activates the receptor to generate a cellular reaction, while antagonists bind to receptors without causing their activation.
Several parameters, such as the drug's affinity for its receptor and its efficacy, which is its ability to activate the receptor, determine the drug's effect on the tissue.
Pharmacogenomics: Identification of New Drug Targets01:29

Pharmacogenomics: Identification of New Drug Targets

Advances in genomics have profoundly influenced drug discovery by increasing both the speed and accuracy of pharmaceutical development. Pharmacogenomics, which examines how genetic variation influences drug response, facilitates the identification of novel therapeutic targets and enables patient stratification for personalized treatment. These strategies contribute to improved drug efficacy, minimized adverse effects, and more efficient clinical trial design.Mapping genetic differences...
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...
Targets for Drug Action: Overview01:26

Targets for Drug Action: Overview

Drugs target macromolecules to modify ongoing cellular processes. Primary drug targets include receptors, ion channels, transporters, and enzymes.
Receptors are either membrane-spanning or intracellular proteins, which upon binding a ligand, get activated and transmit the signal downstream to elicit a response. Drugs bind receptors, either mimicking the action of endogenous ligands or blocking the receptor activity to bring about a modified response. Nearly 35% of approved drugs target the G...

You might also read

Related Articles

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

Sort by
Same author

"Life renewed, obstacles persist": a systematic review of qualitative studies on the experiences of children and adolescents post-kidney transplantation.

Pediatric nephrology (Berlin, Germany)·2026
Same author

Engineering Three-Chamber Core-Sheath Cellulose Acetate Nanofibers via Multifluid Electrospinning for Enhanced Wettability and Tunable Initial Drug Release Behavior.

ACS omega·2026
Same author

Attention-Guided Multi-View Contrastive Learning for Predicting Sparse Drug-Gene Associations.

Interdisciplinary sciences, computational life sciences·2026
Same author

Exploring the Vaccine Adjuvant Effect and Mechanism of <i>Epimedium</i> Using Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulations.

Vaccines·2026
Same author

"Will I Still be Myself?" Opposition to Xenotransplantation Among Chinese Kidney Transplant Candidates: A Qualitative Study.

Xenotransplantation·2026
Same author

Heparin inhibits NLRP3-dependent pyroptosis in acute pancreatitis.

Genes and immunity·2026

Related Experiment Video

Updated: Jun 17, 2026

Protein Target Prediction and Validation of Small Molecule Compound
10:21

Protein Target Prediction and Validation of Small Molecule Compound

Published on: February 23, 2024

MVR-DTI: A Multimodal Molecular Visual Representation Learning for Drug-Target Interaction Prediction.

Qingyong Wang1, Jiale Pan1, Xu Wang1

  • 1School of Artificial Intelligence, Anhui Agricultural University, Hefei 230036, China.

Journal of Chemical Information and Modeling
|June 15, 2026
PubMed
Summary
This summary is machine-generated.

This study introduces Multimodal Molecular Visual Representation for Drug-Target Interaction (DTI) prediction (MVR-DTI), enhancing drug discovery by integrating visual features. MVR-DTI significantly improves DTI prediction accuracy over existing methods.

Related Experiment Videos

Last Updated: Jun 17, 2026

Protein Target Prediction and Validation of Small Molecule Compound
10:21

Protein Target Prediction and Validation of Small Molecule Compound

Published on: February 23, 2024

Area of Science:

  • Computational chemistry
  • Bioinformatics
  • Drug discovery

Background:

  • Drug-target interaction (DTI) prediction is crucial for drug discovery.
  • Existing methods struggle with multimodal molecular representations.
  • Molecular visual representation learning for DTI is underexplored.

Purpose of the Study:

  • To develop a novel method for DTI prediction using multimodal molecular visual representations.
  • To address limitations in current DTI prediction techniques regarding multimodal data integration.

Main Methods:

  • Proposed Multimodal Molecular Visual Representation for DTI prediction (MVR-DTI).
  • Utilized a vision transformer for structure-aware visual feature extraction.
  • Integrated visual features with molecular descriptors, protein sequences, and knowledge graph embeddings via contrastive learning and attention mechanisms.

Main Results:

  • MVR-DTI demonstrated superior performance compared to existing baseline methods.
  • Consistent improvements were observed across multiple evaluation metrics.
  • The method effectively captures spatial molecular information and integrates diverse data modalities.

Conclusions:

  • Multimodal visual representation learning holds significant potential for enhancing DTI prediction.
  • MVR-DTI offers a promising approach for advancing computational drug discovery.
  • The integration of visual and other molecular data modalities is key to improving prediction accuracy.