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

Antimicrobial Proteins01:23

Antimicrobial Proteins

990
Antimicrobial proteins are important components of the immune system. They aid the body in combating pathogens by either killing them directly or hindering their replication processes. Four main types of antimicrobial substances are interferons, the complement system, iron-binding proteins, and antimicrobial proteins.
Interferons
Interferons (IFNs) are proteins produced by lymphocytes, macrophages, and fibroblasts infected with viruses. While IFNs cannot prevent viruses from entering and...
990
Antibiotic Selection00:57

Antibiotic Selection

53.5K
Overview
53.5K
Combined Effects of Drugs: Synergism01:27

Combined Effects of Drugs: Synergism

3.9K
Synergism is a useful mechanism where combining two or more drugs is more effective than each constituent used alone. Such combinations are also called supra-additive interactions. The drugs collectively enhance the final therapeutic effect by acting on different targets. Another advantage is that the low dose of each constituent drug is sufficient to achieve the desired effect. This helps reduce the duration of therapy and lower the adverse effects of these drugs.
Such synergistic combinations...
3.9K
Surface Membrane Barriers01:18

Surface Membrane Barriers

1.1K
The skin and mucous membranes serve as the primary line of defense against pathogens by providing both physical and chemical protection. These barriers are essential in preventing the entry and establishment of microbes, thereby maintaining the integrity of the host.
The outer layer of the skin, the epidermis, is a robust barrier comprising layers of closely packed keratinized cells. This dense arrangement prevents microbes from penetrating the body. The periodic shedding of epidermal cells...
1.1K

You might also read

Related Articles

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

Sort by
Same author

Patient-specific continuous non-invasive blood pressure waveform in computed tomography derived fractional flow reserve calculation: Comparison with population-based pressure models.

Computer methods and programs in biomedicine·2026
Same author

Designing AI-generated antimicrobials for targeting bacterial microdomains.

Scientific reports·2025
Same author

Molecular mechanisms and computational insights into human SGLTs: advancing toward selective SGLT1 inhibition.

Frontiers in molecular biosciences·2025
Same author

Intermittent fasting in the treatment of type 2 diabetes.

Frontiers in nutrition·2025
Same author

The role of lipid phase and temperature in proton barrier and proton migration on biological membranes.

Chemical science·2025
Same author

Oscillations in Absorption from InGaN/GaN Quantum Well to Continuum.

Nanomaterials (Basel, Switzerland)·2025

Related Experiment Video

Updated: Jul 2, 2025

Broth Microdilution In Vitro Screening: An Easy and Fast Method to Detect New Antifungal Compounds
08:54

Broth Microdilution In Vitro Screening: An Easy and Fast Method to Detect New Antifungal Compounds

Published on: February 14, 2018

18.9K

Molecular guidelines for promising antimicrobial agents.

Mateusz Rzycki1, Marta Gładysiewicz-Kudrawiec2, Sebastian Kraszewski3

  • 1Department of Biomedical Engineering, Wroclaw University of Science and Technology, 50-370, Wroclaw, Poland. mateusz.rzycki@pwr.edu.pl.

Scientific Reports
|February 27, 2024
PubMed
Summary

This study uses AI and molecular fingerprinting to identify key features of effective antimicrobial drugs. These insights guide the development of new drug candidates to combat antibiotic resistance.

More Related Videos

Author Spotlight: Scalable Drug Screening Protocol for Efficient Discovery of M. abscessus Treatments
07:50

Author Spotlight: Scalable Drug Screening Protocol for Efficient Discovery of M. abscessus Treatments

Published on: October 25, 2024

1.6K
Antimicrobial Characterization of Advanced Materials for Bioengineering Applications
08:08

Antimicrobial Characterization of Advanced Materials for Bioengineering Applications

Published on: August 4, 2018

22.1K

Related Experiment Videos

Last Updated: Jul 2, 2025

Broth Microdilution In Vitro Screening: An Easy and Fast Method to Detect New Antifungal Compounds
08:54

Broth Microdilution In Vitro Screening: An Easy and Fast Method to Detect New Antifungal Compounds

Published on: February 14, 2018

18.9K
Author Spotlight: Scalable Drug Screening Protocol for Efficient Discovery of M. abscessus Treatments
07:50

Author Spotlight: Scalable Drug Screening Protocol for Efficient Discovery of M. abscessus Treatments

Published on: October 25, 2024

1.6K
Antimicrobial Characterization of Advanced Materials for Bioengineering Applications
08:08

Antimicrobial Characterization of Advanced Materials for Bioengineering Applications

Published on: August 4, 2018

22.1K

Area of Science:

  • Computational chemistry and cheminformatics
  • Drug discovery and development
  • Public health and infectious diseases

Background:

  • Antimicrobial resistance (AMR) is a critical global health threat, necessitating the discovery of novel antimicrobial agents.
  • Traditional drug screening methods often lack the speed and precision required for efficient analysis of large compound libraries.
  • Understanding drug-target interactions and predicting antimicrobial efficacy are crucial for developing new treatments.

Purpose of the Study:

  • To characterize thermodynamic commonalities among antimicrobial molecules using computational predictions.
  • To identify promising antimicrobial candidates through clustering and machine learning analyses.
  • To establish guidelines for designing effective antimicrobial agents and generate novel compounds.

Main Methods:

  • Utilized Diptool for predicting free energy barriers of drug translocation across lipid membranes.
  • Applied various clustering methods to group molecules based on predicted thermodynamic properties.
  • Employed molecular fingerprinting and machine learning (ML) to identify key structural and physicochemical features.
  • Implemented Reinforcement Learning for Structural Evolution (ReLeaSE) to generate new chemical entities.

Main Results:

  • Identified common structural elements in effective antimicrobials, including long carbon chains, charged ammonium groups, and low dipole moments.
  • Established selection guidelines based on partition coefficients (logP) and molecular mass.
  • Generated novel molecules using ReLeaSE that exhibit structural profiles similar to known antimicrobials.
  • Validated the importance of identified features for antimicrobial activity.

Conclusions:

  • AI-driven methods, including molecular fingerprinting, are effective in identifying promising antimicrobial agents.
  • The study provides a framework for rational drug design and the development of new antimicrobials.
  • Findings have significant implications for combating antibiotic-resistant bacteria and advancing antimicrobial drug development.