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

Drug Discovery: Overview01:26

Drug Discovery: Overview

10.6K
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...
10.6K
Structure-Activity Relationships and Drug Design01:28

Structure-Activity Relationships and Drug Design

1.5K
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...
1.5K
Non-equilibrium in the Cell01:16

Non-equilibrium in the Cell

5.1K
An important concept in studying metabolism and energy is that of chemical equilibrium. Most chemical reactions are reversible. They can proceed in both directions, releasing energy into their environment in one direction, and absorbing it from the environment in the other direction. The same is true for the chemical reactions involved in cell metabolism, such as the breaking down and building up of proteins into and from individual amino acids, respectively. Reactants within a closed system...
5.1K
Drug Administration and Therapy Phases: Overview01:26

Drug Administration and Therapy Phases: Overview

1.0K
Drugs, the chemical agents used in diagnosing, treating, or preventing diseases, undergo a four-phase process of development: pharmaceutic, pharmacokinetics, pharmacodynamics, and therapeutic.
The pharmaceutical phase focuses on leveraging the physicochemical properties of the drug to design and manufacture an effective product. Variants include orally administered tablets or capsules, topical creams or ointments, and parenteral-delivery solutions or emulsions.
The pharmacokinetic phase...
1.0K
Preclinical Development: Overview01:28

Preclinical Development: Overview

5.6K
Preclinical development consists of a series of tests that ensure the safety and efficacy of a new therapeutic compound before it is tested in humans. There are four main phases to this process. First, safety pharmacology tests are conducted to ensure the drug does not produce any acutely harmful effects. These tests examine parameters such as bronchoconstriction, cardiac dysrhythmias, blood pressure changes, and ataxia. Next, preliminary toxicological testing is performed to determine the...
5.6K
Issues And Trends In Healthcare Delivery System01:29

Issues And Trends In Healthcare Delivery System

6.0K
The issues and trends in healthcare delivery are constantly changing. The COVID-19 pandemic is one recent issue that wreaked havoc on healthcare systems, causing a shortage of healthcare workers, high demand for medicines and supplies, and increased medical expenditure due to a lack of insurance. Other issues include rising healthcare costs and care fragmentation.
Cost Containment
Payment for healthcare services has historically promoted adoption of costly and often unnecessary or inefficient...
6.0K

You might also read

Related Articles

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

Sort by
Same authorSame journal

Nano alchemy: Ionic liquids transforming metallic particles for medicine.

Drug discovery today·2026
Same author

Dendronized Polymeric Biomaterial for Loading, Stabilization, and Targeted Cytosolic Delivery of microRNA in Cancer Cells.

ACS applied bio materials·2026
Same author

Prone-to-aggregate nanoparticle for cancer-targeted drug delivery.

International journal of pharmaceutics·2026
Same author

Correction: Exosome mediated miR-155 delivery confers cisplatin chemoresistance in oral cancer cells via epithelial-mesenchymal transition.

Oncotarget·2025
Same author

Imidazopyrimidine-based pyruvate kinase M2 activator halts diabetic nephropathy progression via modulating epithelial-to-mesenchymal transition and fibrosis.

Chemico-biological interactions·2025
Same author

Bioprospecting of Endolichenic Fungus <i>Phanerochaete</i> <i>chrysosporium</i> from Mangrove Associated Lichen <i>Bactrospora</i> <i>myriadea</i> for Anticancer Leads.

Indian journal of microbiology·2025

Related Experiment Video

Updated: Dec 4, 2025

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA
10:21

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA

Published on: February 23, 2024

3.4K

Artificial intelligence in drug discovery and development.

Debleena Paul1, Gaurav Sanap1, Snehal Shenoy1

  • 1National Institute of Pharmaceutical Education and Research-Ahmedabad (NIPER-A), An Institute of National Importance, Government of India, Department of Pharmaceuticals, Ministry of Chemicals and Fertilizers, Palaj, Opp. Air Force Station, Gandhinagar, 382355, Gujarat, India.

Drug Discovery Today
|October 25, 2020
PubMed
Summary

This article explores how artificial intelligence is transforming the pharmaceutical industry by speeding up drug discovery and development processes. It reviews the current tools and methods being used, identifies existing obstacles, and discusses potential strategies to address these hurdles.

Keywords:
computational drug designmachine learning algorithmspharmaceutical innovationpredictive modeling

Frequently Asked Questions

More Related Videos

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

891
Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System
05:10

Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System

Published on: December 11, 2016

10.0K

Related Experiment Videos

Last Updated: Dec 4, 2025

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA
10:21

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA

Published on: February 23, 2024

3.4K
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

891
Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System
05:10

Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System

Published on: December 11, 2016

10.0K

Area of Science:

  • Artificial intelligence in pharmaceutical research and development
  • Computational pharmacology and drug discovery workflows

Background:

The pharmaceutical sector currently faces significant bottlenecks in bringing new therapeutic agents to market efficiently. No prior work had resolved how computational integration might fully streamline these complex, multi-stage development pipelines. Prior research has shown that traditional methods often suffer from high failure rates and excessive costs. That uncertainty drove interest in automated systems to enhance decision-making during early-stage screening. It was already known that data-driven approaches could potentially identify promising chemical candidates faster than manual laboratory efforts. This gap motivated a closer examination of how machine learning models interact with biological datasets. Researchers have long sought to bridge the divide between raw chemical information and actionable clinical insights. The field remains in a state of rapid evolution as new algorithms emerge to tackle persistent industry challenges.

Purpose Of The Study:

The aim of this article is to evaluate the integration of computational systems within the pharmaceutical sector. This study addresses the need to understand how these technologies influence drug discovery and development. The authors seek to clarify the specific tools and techniques currently employed by researchers. This investigation explores the challenges that arise when implementing automated solutions in complex biological environments. The researchers intend to provide a roadmap for overcoming these persistent barriers to innovation. By analyzing current practices, the study highlights the transformative potential of digital approaches. The motivation stems from the rapid expansion of the field and the resulting need for a synthesized overview. This work provides a critical assessment of the current state of computational drug development.

Main Methods:

Review approach involves a systematic examination of current literature regarding computational integration in medicine. The authors surveyed diverse academic databases to identify relevant studies on algorithmic applications. They categorized various software platforms based on their specific utility in molecular design. The investigation focused on identifying common barriers that hinder the implementation of these digital solutions. Researchers synthesized findings from multiple sources to provide a comprehensive overview of the current landscape. They evaluated the efficacy of different modeling techniques used in contemporary drug development pipelines. The study design prioritized peer-reviewed articles that demonstrate practical applications of automated systems. This approach ensures a balanced perspective on both the potential benefits and the limitations of these technologies.

Main Results:

Key findings from the literature indicate that automated systems significantly accelerate the growth of the pharmaceutical sector. The review demonstrates that these tools facilitate a revolutionary shift in how companies approach drug development. Authors report that integrating these technologies helps address persistent inefficiencies in traditional discovery workflows. The literature suggests that current challenges, such as data quality, remain significant hurdles for researchers. Findings indicate that specific techniques, including deep learning, are increasingly utilized to predict molecular interactions. The synthesis reveals that overcoming these obstacles is possible through improved data standardization and collaborative efforts. The results highlight that the adoption of these systems is not uniform across all research areas. The evidence confirms that computational integration is a primary driver of modern pharmaceutical innovation.

Conclusions:

The authors suggest that integrating advanced computational models will continue to reshape standard pharmaceutical workflows. Synthesis and implications indicate that overcoming current data limitations remains a priority for widespread adoption. The review highlights that algorithmic transparency is necessary for building trust within regulatory frameworks. Researchers propose that collaborative efforts between computer scientists and biologists will foster more robust predictive outcomes. The text notes that standardizing data formats could alleviate many of the technical hurdles mentioned. Future progress depends on refining these digital tools to handle increasingly complex biological systems. The authors conclude that the shift toward automated discovery is likely to persist as a defining trend. This synthesis confirms that digital transformation offers a viable path toward more efficient therapeutic innovation.

The authors propose that these systems accelerate development by automating complex screening processes. This integration reduces the time required to identify viable chemical candidates compared to traditional manual laboratory methods.

Researchers utilize deep learning architectures and predictive modeling software to analyze large datasets. These tools allow for the rapid evaluation of molecular interactions, which contrasts with the slower, trial-and-error nature of conventional bench-top testing.

The researchers state that high-quality, standardized data is necessary for model accuracy. This requirement is vital because inconsistent information sources hinder the performance of predictive algorithms, unlike curated datasets that improve reliability.

This information serves as the foundation for training predictive algorithms. By processing vast amounts of chemical and biological data, these models identify patterns that human researchers might overlook during initial drug screening.

The authors measure success through the increased efficiency of identifying potential drug candidates. This phenomenon is observed when automated systems successfully filter out ineffective compounds earlier than standard industry practices.

The researchers claim that widespread adoption will lead to a revolutionary change in the industry. This shift implies that firms must adapt their infrastructure to remain competitive, rather than relying solely on legacy discovery methods.